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|Grants
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Disk Usage | Queues | Current Jobs | Job History | Info | Accounts
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System...
Disk Usage | Queues | Current Jobs | Job History | Documentation
Finished Jobs
| |
Risk of Wasting CPU Resources |
Abbreviations
Efcy = Efficiency (%).
WT = Wall Time in seconds.
CT = CPU Time in seconds.
CU = CPUs Used.
RM = Requested Memory.
App = Application.
OD = Order of the Derivative.
|
|
Low
|
Greater than or equal to ideal target efcy.
|
|
Elevated
|
Met minimum target efcy (50%), but not ideal target efcy (75%).
|
|
High
|
Met the breakeven efcy, but has not met minimum target efcy(50%).
|
| Severe
|
Below breakeven efcy (1 / no. of cpus).
|
| None
|
A one CPU job.
|
| Unknown
|
A Mimosa job.
|
|
|
|
The last 1000 jobs finished at MCSR. View last 100 | 250 | 500 jobs.
|
| Job Name |
Job ID |
System |
Efcy |
End |
WT |
CT |
CU |
RM |
App |
Theoretical Method |
OD |
alpha |
beta |
basis |
| MMopen
| 9879
| sequoia
| 100
| 2009-11-04
| 28290
| 56566
| 2
| 800mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | G65OPh8Me-a
| 21782
| mimosa
| -
| 2009-11-04
| 65967
| 65916
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 78
| 78
| 415
| | HXAg35F25
| 21783
| mimosa
| -
| 2009-11-16
| 1055088
| 1040096
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | D1PR2opt9H2AP
| 38292
| redwood
| 80
| 2009-11-08
| 330501
| 527995
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 35
| 730
| | DXPR3opt9H2APw
| 38291
| redwood
| 92
| 2009-11-04
| 16407
| 30258
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| none
| 35
| 35
| 730
| | D1min10
| 21785
| mimosa
| -
| 2009-11-04
| 60213
| 57760
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 542
| | D1min12_s1_h
| 21790
| mimosa
| -
| 2009-11-03
| 1291
| 685
| 4
| 2457600kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1min12_s1_631
| 21788
| mimosa
| -
| 2009-11-06
| 203501
| 169952
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 536
| | M6BB1B_M6
| 9891
| sequoia
| 100
| 2009-11-16
| 954119
| 3812454
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | D1min3_h
| 21796
| mimosa
| -
| 2009-11-04
| 13296
| 7886
| 4
| 2457600kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 343
| | D1min12_s1_h
| 21795
| mimosa
| -
| 2009-11-04
| 7056
| 3586
| 4
| 2457600kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 343
| | D1min12_d_s
| 21797
| mimosa
| -
| 2009-11-04
| 16049
| 14952
| 2
| 1228800kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 343
| | D1min12_s1_h
| 21798
| mimosa
| -
| 2009-11-04
| 6207
| 5391
| 4
| 2457600kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 343
| | D1min3_h
| 21800
| mimosa
| -
| 2009-11-04
| 11493
| 8766
| 4
| 2457600kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 343
| | D1min12_s1_h
| 21799
| mimosa
| -
| 2009-11-04
| 8013
| 6099
| 4
| 2457600kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 343
| | P11aMP2
| 38296
| redwood
| 54
| 2009-11-11
| 416266
| 897331
| 4
| 3584mb
| Gaussian 03
| Many-body Perturbative
| 1st
| 188
| 188
| 558
| | P11bMP2
| 38295
| redwood
| 47
| 2009-11-16
| 1018746
| 1907398
| 4
| 3584mb
| Gaussian 03
| Many-body Perturbative
| 1st
| 188
| 188
| 558
| | D2min12_d_ts
| 21801
| mimosa
| -
| 2009-11-05
| 61543
| 58158
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 2nd
| 77
| 77
| 343
| | D1min12_s1_h2
| 21835
| mimosa
| -
| 2009-11-04
| 12449
| 8699
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 343
| | XXbenzene
| 21837
| mimosa
| -
| 2009-11-04
| 1166
| 665
| 2
| 819200kb
| Gaussian 03
| Exotic
| none
| -1
| -1
| -1
| | D1k01-n
| 9911
| sequoia
| 99
| 2009-11-16
| 911303
| 3597024
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1k17-n
| 9910
| sequoia
| 98
| 2009-11-11
| 502984
| 1975447
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1k19-n
| 9912
| sequoia
| 98
| 2009-11-11
| 507849
| 1995118
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | G65OPhCl8Me-n-
| 38297
| redwood
| 93
| 2009-11-05
| 20167
| 74725
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 94
| 94
| 560
| | G65OPh8Me-n-di
| 21844
| mimosa
| -
| 2009-11-08
| 319646
| 319477
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 78
| 78
| 526
| | X1dTLdTa_M05x3
| 21847
| mimosa
| -
| 2009-11-11
| 598930
| 476868
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | D1min12_s_min
| 21845
| mimosa
| -
| 2009-11-04
| 23249
| 19327
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 341
| | D1k08-n
| 9914
| sequoia
| 98
| 2009-11-11
| 444902
| 1747767
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | multi_test
| 9922
| sequoia
| 99
| 2009-11-04
| 10
| 79
| 8
| 15728640kb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | D1k02-n
| 9913
| sequoia
| 99
| 2009-11-16
| 911787
| 3598140
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | X1Fe-Por-MeIm-
| 9920
| sequoia
| 97
| 2009-11-07
| 67701
| 261375
| 4
| 3200mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | X1Mg-Por-MeIm-
| 9923
| sequoia
| 98
| 2009-11-07
| 50169
| 197149
| 4
| 3200mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | D1Opt8NR-2AP
| 38299
| redwood
| 79
| 2009-11-09
| 308331
| 490085
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | D1Opt9NR-2AP
| 38300
| redwood
| 92
| 2009-11-11
| 339169
| 627061
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | D1B3LYP6-31+Gs
| 9924
| sequoia
| 98
| 2009-11-05
| 48507
| 191093
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | G6all-S-ra
| 38302
| redwood
| 83
| 2009-11-05
| 78884
| 131126
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 78
| 77
| 420
| | D1NH2IsomerAop
| 21856
| mimosa
| -
| 2009-11-05
| 80381
| 74381
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 74
| 74
| 404
| | D1B3LYP6-31+Gs
| 21852
| mimosa
| -
| 2009-11-05
| 53612
| 44404
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 74
| 73
| 404
| | D1B3LYP6-31+Gs
| 21851
| mimosa
| -
| 2009-11-05
| 86135
| 84514
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 75
| 74
| 404
| | X2ts_45
| 21854
| mimosa
| -
| 2009-11-05
| 77496
| 68939
| 2
| 819200kb
| Gaussian 03
| Exotic
| 2nd
| 57
| 57
| 301
| | X2dft
| 21857
| mimosa
| -
| 2009-11-04
| 174
| 90
| 2
| 204800kb
| Gaussian 03
| Exotic
| 2nd
| -1
| -1
| -1
| | D12
| 9927
| sequoia
| 99
| 2009-11-05
| 123838
| 246065
| 2
| 3600mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | G6newref
| 38316
| redwood
| 77
| 2009-11-19
| 465650
| 1429659
| 4
| 3500mb
| Gaussian 09
| Density-Functional
|
| 182
| 182
| 1840
| | X2ts_anionCC
| 38311
| redwood
| 82
| 2009-11-08
| 307599
| 504927
| 2
| 1000mb
| Gaussian 03
| Exotic
| 2nd
| 94
| 94
| 516
| | PXMP26-31+Gs
| 38309
| redwood
| 88
| 2009-11-04
| 5942
| 10443
| 2
| 1600mb
| Gaussian 03
| Many-body Perturbative
| none
| 74
| 74
| 404
| | P2tsc3_mp2
| 38312
| redwood
| 91
| 2009-11-05
| 91198
| 165807
| 2
| 1000mb
| Gaussian 03
| Many-body Perturbative
| 2nd
| 63
| 63
| 335
| | D1ts_elim
| 38317
| redwood
| 87
| 2009-11-04
| 31
| 54
| 2
| 1000mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | M4ganna
| 21862
| mimosa
| -
| 2009-11-04
| 2855
| 2847
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | X2ganna
| 21860
| mimosa
| -
| 2009-11-04
| 2970
| 2876
| 2
| 819200kb
| Gaussian 03
| Exotic
| 2nd
| -1
| -1
| -1
| | D1Pt-Ru-dpp-2b
| 9932
| sequoia
| 99
| 2009-11-18
| 880730
| 3475134
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D12His-Ne-Pt-d
| 9931
| sequoia
| 100
| 2009-11-18
| 898525
| 3592776
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D12His-Ne-Pt-d
| 9930
| sequoia
| 100
| 2009-11-21
| 1168103
| 4670524
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1chlorfen
| 9928
| sequoia
| 98
| 2009-11-07
| 39972
| 157247
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1Pt-Ru-dpp-2b
| 9933
| sequoia
| 100
| 2009-11-18
| 898058
| 3589983
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | M6nnzz1-M05
| 38318
| redwood
| 80
| 2009-11-05
| 15826
| 50430
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 91
| 91
| 490
| | M6nnzz2-M05
| 38319
| redwood
| 85
| 2009-11-06
| 68483
| 233688
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 133
| 133
| 700
| | H2HF6-31+Gs
| 21865
| mimosa
| -
| 2009-11-04
| 20363
| 17330
| 2
| 1638400kb
| Gaussian 03
| Hartree-Fock
| 2nd
| 74
| 74
| 404
| | H2SSSSFreq
| 21866
| mimosa
| -
| 2009-11-04
| 14730
| 12561
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| 2nd
| 118
| 118
| 342
| | D1N-terminal-P
| 9935
| sequoia
| 100
| 2009-11-19
| 986740
| 3945149
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | X2tsc3_m052x
| 9936
| sequoia
| 99
| 2009-11-07
| 125143
| 248075
| 2
| 1000mb
| Gaussian 03
| Exotic
| 2nd
| -1
| -1
| -1
| | D1N-terminal-P
| 9934
| sequoia
| 98
| 2009-11-09
| 118049
| 464332
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | G6kish39-catio
| 38330
| redwood
| 92
| 2009-11-06
| 195714
| 358672
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 115
| 114
| 561
| | J6bn3-nh135
| 38331
| redwood
| 71
| 2009-11-04
| 18688
| 26429
| 2
| 1600mb
| Gaussian 09
| Many-body Perturbative
|
| 66
| 66
| 282
| | P1MP26-31+Gsop
| 38332
| redwood
| 98
| 2009-11-05
| 75685
| 148839
| 2
| 1600mb
| Gaussian 03
| Many-body Perturbative
| 1st
| 74
| 74
| 404
| | D1mgmc-arg-o10
| 38329
| redwood
| 75
| 2009-11-06
| 29821
| 89452
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| 96
| 96
| 626
| | D1B3DiTertLeuO
| 21870
| mimosa
| -
| 2009-11-04
| 18331
| 12978
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 75
| 75
| 227
| | D1B3TertLeuOpt
| 21869
| mimosa
| -
| 2009-11-04
| 13045
| 4992
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 44
| 44
| 124
| | H1methane
| 21873
| mimosa
| -
| 2009-11-04
| 30
| 27
| 1
| 409600kb
| Gaussian 03
| Hartree-Fock
| 1st
| -1
| -1
| -1
| | G6all-S-n-pro
| 21871
| mimosa
| -
| 2009-11-07
| 213588
| 213382
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 77
| 77
| 425
| | M6BZ1
| 38336
| redwood
| 91
| 2009-11-04
| 2545
| 4642
| 2
| 800mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | H2HF6-31+GsEAf
| 38334
| redwood
| 88
| 2009-11-06
| 146855
| 259068
| 2
| 1600mb
| Gaussian 03
| Hartree-Fock
| 2nd
| 75
| 74
| 404
| | H2HF6-31+Gsfre
| 38333
| redwood
| 91
| 2009-11-05
| 56890
| 103405
| 2
| 1600mb
| Gaussian 03
| Hartree-Fock
| 2nd
| 74
| 74
| 404
| | H2HF6-31+GsIPf
| 38335
| redwood
| 86
| 2009-11-06
| 128755
| 221504
| 2
| 1600mb
| Gaussian 03
| Hartree-Fock
| 2nd
| 74
| 73
| 404
| | D13_0F_Scan_Wa
| 21882
| mimosa
| -
| 2009-11-14
| 867872
| 578533
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 105
| 105
| 636
| | D2rest_ts4_fre
| 21880
| mimosa
| -
| 2009-11-04
| 18930
| 14614
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 2nd
| 89
| 89
| 428
| | M6nnzz5-M05
| 38342
| redwood
| 68
| 2009-11-13
| 695868
| 1878954
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 259
| 259
| 1330
| | M6nnzz3-M05
| 38339
| redwood
| 80
| 2009-11-07
| 162560
| 523147
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 175
| 175
| 910
| | P1FAD1TS
| 38340
| redwood
| 70
| 2009-11-06
| 745
| 2089
| 4
| 3584mb
| Gaussian 03
| Many-body Perturbative
| 1st
| 24
| 24
| 150
| | M6nnzz4-M05
| 38338
| redwood
| 86
| 2009-11-09
| 314555
| 1087277
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 217
| 217
| 1120
| | M6nnzz6-M05
| 38341
| redwood
| 82
| 2009-11-18
| 1096925
| 3594799
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 301
| 301
| 1540
| | MMopen
| 9940
| sequoia
| 100
| 2009-11-07
| 121934
| 243823
| 2
| 800mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | J6bn3-nh135sca
| 38343
| redwood
| 72
| 2009-11-07
| 248693
| 356622
| 2
| 1600mb
| Gaussian 09
| Many-body Perturbative
|
| 66
| 66
| 282
| | H1NH3
| 21901
| mimosa
| -
| 2009-11-04
| 90
| 56
| 16
| 6553600kb
| Gaussian 03
| Hartree-Fock
| 1st
| -1
| -1
| -1
| | H1HCl
| 21908
| mimosa
| -
| 2009-11-04
| 53
| 31
| 16
| 6553600kb
| Gaussian 03
| Hartree-Fock
| 1st
| -1
| -1
| -1
| | D1min12_s1_h2_
| 21920
| mimosa
| -
| 2009-11-05
| 23255
| 22678
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 542
| | H1ppp
| 21921
| mimosa
| -
| 2009-11-10
| 451394
| 316658
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| 1st
| 480
| 480
| 1312
| | D2min12_d_ts
| 21922
| mimosa
| -
| 2009-11-05
| 47971
| 35876
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 2nd
| 77
| 77
| 343
| | D1min15_2oh_63
| 21926
| mimosa
| -
| 2009-11-05
| 2973
| 2039
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1min1_2och3_6
| 21927
| mimosa
| -
| 2009-11-05
| 6450
| 5825
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 93
| 93
| 409
| | D1min12_s1_h2_
| 21928
| mimosa
| -
| 2009-11-06
| 78349
| 76215
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 542
| | Ab-3walls
| 38344
| redwood
| 65
| 2009-11-06
| 65660
| 85968
| 2
| 2000mb
| Amber
| Amber
|
| -1
| -1
| -1
| | D1min1_2oh_631
| 21931
| mimosa
| -
| 2009-11-07
| 140009
| 101771
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 85
| 85
| 580
| | G65OPh8Me-ra
| 21933
| mimosa
| -
| 2009-11-06
| 127159
| 126949
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 79
| 78
| 420
| | D1min1_2och3_6
| 21932
| mimosa
| -
| 2009-11-07
| 139899
| 128514
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 93
| 93
| 648
| | D1min15_2oh_63
| 21935
| mimosa
| -
| 2009-11-07
| 155632
| 138838
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 552
| | anisoB_2DT2
| 9942
| sequoia
| 100
| 2009-11-08
| 299282
| 2389900
| 8
| 15728640kb
| Unknown
|
|
| -1
| -1
| -1
| | M6bBB1B1_M6
| 9941
| sequoia
| 100
| 2009-11-19
| 942549
| 3766919
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | Ab-2walls
| 38350
| redwood
| 67
| 2009-11-05
| 27425
| 36853
| 2
| 2000mb
| Amber
| Amber
|
| -1
| -1
| -1
| | G6all-S-ra-dif
| 38353
| redwood
| 87
| 2009-11-08
| 239227
| 415803
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 78
| 77
| 525
| | G6all-R-ra-pro
| 38354
| redwood
| 94
| 2009-11-06
| 59075
| 110762
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 78
| 77
| 425
| | G6all-R-ra-pro
| 38359
| redwood
| 87
| 2009-11-08
| 274786
| 478625
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 78
| 77
| 531
| | X2ts_45
| 21937
| mimosa
| -
| 2009-11-05
| 23253
| 22572
| 2
| 819200kb
| Gaussian 03
| Exotic
| 2nd
| 57
| 57
| 301
| | X2prod_34
| 21938
| mimosa
| -
| 2009-11-05
| 26739
| 25279
| 2
| 819200kb
| Gaussian 03
| Exotic
| 2nd
| 57
| 57
| 301
| | D2min12_d
| 21936
| mimosa
| -
| 2009-11-06
| 93330
| 90509
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 2nd
| 77
| 77
| 542
| | D1thioc_frozen
| 9943
| sequoia
| 100
| 2009-11-12
| 359639
| 1433550
| 4
| 3000mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1elim_lyp
| 38360
| redwood
| 85
| 2009-11-05
| 17585
| 29928
| 2
| 1000mb
| Gaussian 03
| Density-Functional
| 1st
| 33
| 33
| 176
| | H2HF6-31+GsEAf
| 21943
| mimosa
| -
| 2009-11-06
| 49429
| 43667
| 2
| 1638400kb
| Gaussian 03
| Hartree-Fock
| 2nd
| 75
| 74
| 404
| | D1phosphoran1
| 21945
| mimosa
| -
| 2009-11-05
| 2004
| 1813
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | PXMP26-31+GsSP
| 21941
| mimosa
| -
| 2009-11-05
| 6206
| 3658
| 2
| 1638400kb
| Gaussian 03
| Many-body Perturbative
| none
| 74
| 74
| 404
| | H2HF6-31+GsIPf
| 21944
| mimosa
| -
| 2009-11-06
| 42216
| 36667
| 2
| 1638400kb
| Gaussian 03
| Hartree-Fock
| 2nd
| 74
| 73
| 404
| | H2HF6-31+Gsfre
| 21942
| mimosa
| -
| 2009-11-05
| 20609
| 19480
| 2
| 1638400kb
| Gaussian 03
| Hartree-Fock
| 2nd
| 74
| 74
| 404
| | PXMP26-31+GsSP
| 38361
| redwood
| 76
| 2009-11-05
| 6958
| 10587
| 2
| 1600mb
| Gaussian 03
| Many-body Perturbative
| none
| 74
| 74
| 404
| | DXB3LYPCCSD
| 38362
| redwood
| 93
| 2009-11-05
| 4952
| 9221
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| none
| 74
| 74
| 476
| | D1B3LYP6-31+Gs
| 21947
| mimosa
| -
| 2009-11-09
| 340805
| 307762
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 75
| 74
| 404
| | D1B3LYP6-31+Gs
| 21948
| mimosa
| -
| 2009-11-07
| 189574
| 165883
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 74
| 73
| 404
| | M6BZ2
| 38366
| redwood
| 78
| 2009-11-05
| 4110
| 6399
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 21
| 21
| 150
| | Ab-3over4
| 38367
| redwood
| 66
| 2009-11-06
| 30706
| 40376
| 2
| 2000mb
| Amber
| Amber
|
| -1
| -1
| -1
| | D2t15ram
| 38364
| redwood
| 42
| 2009-11-07
| 102996
| 172023
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 168
| 168
| 630
| | D1ts_B1
| 22019
| mimosa
| -
| 2009-11-05
| 14731
| 13889
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 46
| 46
| 201
| | D1ts_H1
| 22016
| mimosa
| -
| 2009-11-05
| 15457
| 13543
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 46
| 46
| 201
| | D1glutathione-
| 21993
| mimosa
| -
| 2009-11-06
| 84336
| 83537
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 139
| 139
| 644
| | D1glutathione-
| 21992
| mimosa
| -
| 2009-11-06
| 102343
| 67298
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 139
| 139
| 644
| | X1GCG_DZP_M5
| 9944
| sequoia
| 100
| 2009-11-14
| 502516
| 2007994
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | M6DIM
| 38369
| redwood
| 86
| 2009-11-05
| 343
| 588
| 2
| 800mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6DIM1
| 38370
| redwood
| 90
| 2009-11-06
| 16936
| 30484
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 42
| 42
| 300
| | D1PR4opt9H2AP
| 38368
| redwood
| 70
| 2009-11-08
| 58458
| 81723
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 35
| 730
| | D1min15_2oh_tr
| 22078
| mimosa
| -
| 2009-11-06
| 68251
| 66997
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 552
| | M6FBFBFBF_TM6
| 9947
| sequoia
| 100
| 2009-11-10
| 145799
| 582382
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6FBFBFBF_M6
| 9946
| sequoia
| 100
| 2009-11-19
| 902700
| 3603426
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | X1TS1-guess2-T
| 9951
| sequoia
| 94
| 2009-11-10
| 127361
| 478425
| 4
| 3200mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | D1al2o3oh9w1
| 9957
| sequoia
| 100
| 2009-11-11
| 179305
| 714211
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | G6tylo_1
| 9950
| sequoia
| 100
| 2009-11-13
| 403403
| 1611009
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | D1al2o3oh4w
| 9958
| sequoia
| 99
| 2009-11-10
| 90579
| 360210
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | anisoB_5_2
| 9961
| sequoia
| 100
| 2009-11-08
| 278692
| 2226410
| 8
| 15728640kb
| Unknown
|
|
| -1
| -1
| -1
| | anisoB_5DT2
| 9962
| sequoia
| 100
| 2009-11-10
| 303829
| 2421127
| 8
| 15728640kb
| Unknown
|
|
| -1
| -1
| -1
| | D1ts_elim
| 38372
| redwood
| 78
| 2009-11-06
| 22363
| 34929
| 2
| 1000mb
| Gaussian 03
| Density-Functional
| 1st
| 33
| 33
| 172
| | DXgnen_sc
| 22082
| mimosa
| -
| 2009-11-05
| 478
| 424
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | DXgnt_sc
| 22083
| mimosa
| -
| 2009-11-05
| 477
| 430
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | DXgt_sc
| 22081
| mimosa
| -
| 2009-11-05
| 480
| 426
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | X1dTCdTM5
| 22084
| mimosa
| -
| 2009-11-11
| 495011
| 425006
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 131
| 131
| 770
| | X1dTLdTa_TS_M5
| 9963
| sequoia
| 100
| 2009-11-13
| 391479
| 1560159
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | D1t34w
| 38376
| redwood
| 82
| 2009-11-06
| 18416
| 30270
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 56
| 56
| 211
| | D1t34w73
| 38377
| redwood
| 82
| 2009-11-06
| 18351
| 30201
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 56
| 56
| 211
| | DXB3LYPCCSD
| 38381
| redwood
| 92
| 2009-11-05
| 2996
| 5506
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| none
| 74
| 74
| 476
| | D1t34w43
| 38378
| redwood
| 84
| 2009-11-06
| 13276
| 22227
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 56
| 56
| 211
| | P1MP2opt
| 38382
| redwood
| 92
| 2009-11-17
| 977455
| 1796411
| 2
| 1600mb
| Gaussian 03
| Many-body Perturbative
| 1st
| 74
| 74
| 404
| | D1al4w
| 38379
| redwood
| 83
| 2009-11-06
| 36633
| 60996
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 120
| 120
| 408
| | D1al4w73
| 38380
| redwood
| 76
| 2009-11-06
| 27981
| 42482
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 120
| 120
| 408
| | PXMP2SP
| 22086
| mimosa
| -
| 2009-11-05
| 6452
| 3797
| 2
| 1638400kb
| Gaussian 03
| Many-body Perturbative
| none
| 74
| 74
| 404
| | D1newref
| 9972
| sequoia
| 100
| 2009-11-19
| 866869
| 3467091
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1newref
| 9974
| sequoia
| 100
| 2009-11-21
| 1076729
| 4306747
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1newref
| 9964
| sequoia
| 97
| 2009-11-12
| 252939
| 982881
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1newref
| 9973
| sequoia
| 100
| 2009-11-21
| 1080906
| 4319965
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | I25
| 9971
| sequoia
| 78
| 2009-11-09
| 1767
| 5529
| 4
| 3500mb
| Gaussian 03
| Configuration Interaction
| 2nd
| -1
| -1
| -1
| | D1chit_8d1
| 22089
| mimosa
| -
| 2009-11-18
| 1100611
| 1035501
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 698
| 698
| 3030
| | D1min15_2oh_t1
| 22101
| mimosa
| -
| 2009-11-07
| 90859
| 86079
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 552
| | D1min12_s1_631
| 22102
| mimosa
| -
| 2009-11-09
| 273615
| 258552
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 536
| | X1dTCdTa_M5
| 22103
| mimosa
| -
| 2009-11-22
| 1350234
| 1064339
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 132
| 131
| 770
| | epoint.pbs
| 9975
| sequoia
| 93
| 2009-11-07
| 90
| 669
| 8
| 14336000kb
| Unknown
|
|
| -1
| -1
| -1
| | X1Cu-HGGGW-prp
| 22105
| mimosa
| -
| 2009-11-17
| 954289
| 849396
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 160
| 159
| 688
| | G65OPh8Me-ra-d
| 38383
| redwood
| 80
| 2009-11-07
| 64106
| 205754
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 79
| 78
| 526
| | G6dftaugccpvtz
| 38385
| redwood
| 80
| 2009-11-21
| 560127
| 1796366
| 4
| 3500mb
| Gaussian 09
| Density-Functional
|
| 59
| 59
| 1035
| | X1Cu-HGGGW-prp
| 22106
| mimosa
| -
| 2009-11-19
| 1136436
| 1036045
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 165
| 164
| 715
| | X1Cu-HGGGW-prp
| 22107
| mimosa
| -
| 2009-11-15
| 769222
| 723709
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 175
| 174
| 751
| | M6FBF_M6
| 38393
| redwood
| 73
| 2009-11-07
| 37160
| 108927
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 121
| 121
| 758
| | M6FBF_TM6
| 38394
| redwood
| 72
| 2009-11-12
| 508601
| 1456845
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 122
| 120
| 758
| | M6bBB1B_M6
| 38390
| redwood
| 83
| 2009-11-19
| 1089792
| 3599272
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | M6bBB1B_bh
| 38392
| redwood
| 81
| 2009-11-13
| 616886
| 1997875
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | D12_6F_Scan_Wa
| 22110
| mimosa
| -
| 2009-11-06
| 11132
| 9862
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 105
| 105
| 636
| | D12_7F_Scan_Wa
| 22109
| mimosa
| -
| 2009-11-06
| 11128
| 10773
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 105
| 105
| 636
| | D1min15_2oh_tr
| 22115
| mimosa
| -
| 2009-11-07
| 98003
| 92019
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 552
| | D1so2_7w
| 22116
| mimosa
| -
| 2009-11-07
| 39691
| 22191
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 51
| 51
| 228
| | D1min12_s1_dp
| 22114
| mimosa
| -
| 2009-11-07
| 44485
| 43405
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 452
| | D1al4w43
| 38395
| redwood
| 92
| 2009-11-06
| 1185
| 2182
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1al4w
| 38396
| redwood
| 86
| 2009-11-06
| 27551
| 47163
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 120
| 120
| 408
| | D1al4w73
| 38397
| redwood
| 79
| 2009-11-06
| 23852
| 37456
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 120
| 120
| 408
| | D1al4w43
| 38398
| redwood
| 71
| 2009-11-06
| 27537
| 38960
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 120
| 120
| 408
| | D1B3TertLeuS
| 22144
| mimosa
| -
| 2009-11-06
| 1649
| 557
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 43
| 43
| 120
| | D2B3DiTertLeuF
| 22143
| mimosa
| -
| 2009-11-06
| 4899
| 4783
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 2nd
| 75
| 75
| 227
| | M6grp7_2-M05
| 38401
| redwood
| 92
| 2009-11-07
| 57376
| 211502
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 139
| 138
| 740
| | M6grp7_5-M05
| 38404
| redwood
| 84
| 2009-11-08
| 166895
| 558391
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 283
| 283
| 1480
| | M6grp7_6-M05
| 38405
| redwood
| 82
| 2009-11-11
| 355834
| 1166069
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 323
| 322
| 1680
| | M6grp7_4-M05
| 38403
| redwood
| 38
| 2009-11-14
| 688338
| 1037114
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 231
| 230
| 1210
| | HXAg35F03
| 22164
| mimosa
| -
| 2009-11-16
| 845388
| 826257
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F24
| 22165
| mimosa
| -
| 2009-11-16
| 874065
| 853099
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | X1bcc31n
| 22173
| mimosa
| -
| 2009-11-15
| 718203
| 717569
| 1
| 153600kb
| Gaussian 03
| Exotic
| 1st
| 177
| 177
| 906
| | D2n34w73f
| 22167
| mimosa
| -
| 2009-11-07
| 56280
| 56256
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 2nd
| 85
| 85
| 331
| | D1al2o39w
| 22171
| mimosa
| -
| 2009-11-15
| 718527
| 718014
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 1st
| 145
| 145
| 503
| | X1bcc31
| 22174
| mimosa
| -
| 2009-11-15
| 717230
| 716711
| 1
| 153600kb
| Gaussian 03
| Exotic
| 1st
| 177
| 177
| 906
| | D2t34w43f
| 22169
| mimosa
| -
| 2009-11-06
| 5725
| 5720
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 2nd
| 56
| 56
| 211
| | D1b3c3l
| 22175
| mimosa
| -
| 2009-11-15
| 718139
| 717174
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 1st
| 224
| 224
| 615
| | D1alodssw1
| 22172
| mimosa
| -
| 2009-11-15
| 718287
| 717854
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 1st
| 180
| 180
| 600
| | D2t34wf
| 22170
| mimosa
| -
| 2009-11-06
| 5737
| 5732
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 2nd
| 56
| 56
| 211
| | D2t34w73f
| 22168
| mimosa
| -
| 2009-11-06
| 5856
| 5849
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 2nd
| 56
| 56
| 211
| | D2n34w43f
| 38407
| redwood
| 79
| 2009-11-07
| 21584
| 34307
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 2nd
| 85
| 85
| 331
| | D2n34wf
| 38406
| redwood
| 92
| 2009-11-07
| 13289
| 24518
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 2nd
| 85
| 85
| 331
| | E1sd24
| 9980
| sequoia
| 96
| 2009-11-12
| 45732
| 175447
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1sd25
| 9981
| sequoia
| 96
| 2009-11-12
| 51001
| 195557
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1sd21
| 9977
| sequoia
| 97
| 2009-11-12
| 52690
| 203816
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1sd22
| 9978
| sequoia
| 96
| 2009-11-12
| 51237
| 196448
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | MMpp
| 9976
| sequoia
| 100
| 2009-11-10
| 245576
| 491118
| 2
| 800mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | E1sd23
| 9979
| sequoia
| 96
| 2009-11-12
| 45246
| 173332
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1sd29
| 9985
| sequoia
| 96
| 2009-11-10
| 49359
| 189256
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1sd30
| 9986
| sequoia
| 96
| 2009-11-10
| 49442
| 189440
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1sd28
| 9984
| sequoia
| 92
| 2009-11-10
| 26150
| 96117
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1sd26
| 9982
| sequoia
| 96
| 2009-11-10
| 53019
| 203492
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1sd33
| 9989
| sequoia
| 96
| 2009-11-11
| 50962
| 195373
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1sd34
| 9990
| sequoia
| 96
| 2009-11-11
| 45345
| 173996
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1sd27
| 9983
| sequoia
| 92
| 2009-11-09
| 27091
| 99692
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1sd31
| 9987
| sequoia
| 96
| 2009-11-10
| 52347
| 200896
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1sd32
| 9988
| sequoia
| 96
| 2009-11-10
| 49195
| 188306
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | G61csol
| 38410
| redwood
| 90
| 2009-11-09
| 212151
| 763496
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 86
| 86
| 470
| | G61bsol
| 38409
| redwood
| 81
| 2009-11-09
| 175633
| 570910
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 86
| 86
| 470
| | E1sd37
| 38413
| redwood
| 75
| 2009-11-22
| 77391
| 231322
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| 84
| 84
| 152
| | G61asol
| 38408
| redwood
| 82
| 2009-11-09
| 220865
| 723113
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 86
| 86
| 470
| | B6sd35
| 38411
| redwood
| 81
| 2009-11-08
| 50453
| 163951
| 4
| 3200mb
| Gaussian 09
| Empirical
|
| 84
| 84
| 152
| | D1min1_2och3_6
| 22176
| mimosa
| -
| 2009-11-08
| 126090
| 119321
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 93
| 93
| 648
| | D1min1_2oh_631
| 22177
| mimosa
| -
| 2009-11-08
| 86368
| 80189
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 85
| 85
| 580
| | D1min12_s1_dp
| 22178
| mimosa
| -
| 2009-11-07
| 17492
| 15910
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 452
| | D2min12_s1_dp
| 22179
| mimosa
| -
| 2009-11-10
| 283260
| 258975
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 2nd
| 77
| 77
| 452
| | HXmin12_44
| 22182
| mimosa
| -
| 2009-11-07
| 1172
| 1112
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| -1
| -1
| -1
| | XXmin12_44
| 22187
| mimosa
| -
| 2009-11-07
| 2968
| 2920
| 2
| 1843200kb
| Gaussian 03
| Exotic
| none
| -1
| -1
| -1
| | D1min15_2och3_
| 22186
| mimosa
| -
| 2009-11-09
| 147210
| 140451
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 620
| | XXmin12_44
| 22188
| mimosa
| -
| 2009-11-07
| 3807
| 3746
| 2
| 1843200kb
| Gaussian 03
| Exotic
| none
| 77
| 77
| 452
| | MMFBF_M6td
| 38417
| redwood
| 92
| 2009-11-15
| 24806
| 91735
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 121
| 121
| 758
| | G4cooh_ts2_eth
| 9991
| sequoia
| 99
| 2009-11-10
| 939
| 3735
| 4
| 3000mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | G4cooh_ts1_eth
| 9992
| sequoia
| 100
| 2009-11-10
| 3572
| 14276
| 4
| 3000mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | D1alodssw1n
| 22190
| mimosa
| -
| 2009-11-13
| 520717
| 520393
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 1st
| 180
| 180
| 600
| | D1min15_2och3_
| 22189
| mimosa
| -
| 2009-11-09
| 139897
| 125172
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 620
| | D1al2o3loh2wn
| 9993
| sequoia
| 99
| 2009-11-12
| 178937
| 710675
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D2al4wf
| 38421
| redwood
| 89
| 2009-11-08
| 41123
| 72845
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 2nd
| 120
| 120
| 408
| | D2al4w73f
| 38419
| redwood
| 93
| 2009-11-07
| 26750
| 49851
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 2nd
| 120
| 120
| 408
| | D2t15ram
| 38418
| redwood
| 67
| 2009-11-10
| 272136
| 364477
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 2nd
| 168
| 168
| 630
| | D2al4w43f
| 38420
| redwood
| 90
| 2009-11-07
| 26746
| 47989
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 2nd
| 120
| 120
| 408
| | HXaaq_trans2
| 38422
| redwood
| 85
| 2009-11-10
| 261766
| 447393
| 2
| 1600mb
| Gaussian 03
| Hartree-Fock
| none
| 109
| 109
| 750
| | G6kish39-catio
| 38423
| redwood
| 95
| 2009-11-09
| 186817
| 355972
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 115
| 114
| 561
| | mak_4wks
| 22194
| mimosa
| -
| 2009-11-08
| 20493
| 20215
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22192
| mimosa
| -
| 2009-11-08
| 20502
| 20139
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22193
| mimosa
| -
| 2009-11-08
| 20507
| 20342
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22196
| mimosa
| -
| 2009-11-08
| 20484
| 20293
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22195
| mimosa
| -
| 2009-11-08
| 20497
| 20279
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | M6grp7_7-M05
| 38426
| redwood
| 84
| 2009-11-11
| 261961
| 880840
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 375
| 375
| 1950
| | M6grp7_8-M05
| 38427
| redwood
| 84
| 2009-11-17
| 695918
| 2325053
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 415
| 414
| 2150
| | D1min15_2oh_63
| 22198
| mimosa
| -
| 2009-11-10
| 190839
| 170841
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 552
| | D1min15_2oh_t1
| 22199
| mimosa
| -
| 2009-11-08
| 42583
| 39314
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 552
| | mak_4wks
| 22201
| mimosa
| -
| 2009-11-08
| 19911
| 19708
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22203
| mimosa
| -
| 2009-11-08
| 19900
| 19697
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22200
| mimosa
| -
| 2009-11-08
| 19925
| 19681
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22202
| mimosa
| -
| 2009-11-08
| 19887
| 19687
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | M6TTpAAa_AM6
| 9998
| sequoia
| 100
| 2009-11-21
| 958977
| 3834519
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | GMdftccpvtz
| 38428
| redwood
| 94
| 2009-11-14
| 50856
| 191956
| 4
| 3500mb
| Gaussian 09
| Density-Functional
|
| 59
| 59
| 664
| | D1min15_tr_dms
| 22204
| mimosa
| -
| 2009-11-09
| 60570
| 55696
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 72
| 72
| 508
| | DXPR2opt9H2APw
| 38430
| redwood
| 93
| 2009-11-09
| 15188
| 28290
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| none
| 35
| 35
| 730
| | D1Opt6NR2APw
| 38429
| redwood
| 94
| 2009-11-13
| 438276
| 822000
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | mak_4wks
| 22206
| mimosa
| -
| 2009-11-08
| 21103
| 20711
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22205
| mimosa
| -
| 2009-11-08
| 21105
| 20712
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | D1ts_H1
| 22211
| mimosa
| -
| 2009-11-08
| 25658
| 23123
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 46
| 46
| 201
| | X2prod_34
| 22208
| mimosa
| -
| 2009-11-08
| 30093
| 28524
| 2
| 819200kb
| Gaussian 03
| Exotic
| 2nd
| 57
| 57
| 301
| | D1ts_B1
| 22212
| mimosa
| -
| 2009-11-08
| 29257
| 27441
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 46
| 46
| 201
| | X2ts_45
| 22207
| mimosa
| -
| 2009-11-08
| 30095
| 25124
| 2
| 819200kb
| Gaussian 03
| Exotic
| 2nd
| 57
| 57
| 301
| | D1scavc_frozen
| 10003
| sequoia
| 99
| 2009-11-16
| 451629
| 1794948
| 4
| 3000mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | P2tsc3_mp2
| 38432
| redwood
| 94
| 2009-11-09
| 54607
| 102264
| 2
| 1200mb
| Gaussian 03
| Many-body Perturbative
| 2nd
| 63
| 63
| 335
| | D2ts_lyp
| 38433
| redwood
| 82
| 2009-11-08
| 31
| 51
| 2
| 1000mb
| Gaussian 03
| Density-Functional
| 2nd
| -1
| -1
| -1
| | D1ts_elim
| 38431
| redwood
| 90
| 2009-11-14
| 501100
| 899390
| 2
| 1000mb
| Gaussian 03
| Density-Functional
| 1st
| 33
| 33
| 644
| | D1min_2och3
| 22213
| mimosa
| -
| 2009-11-09
| 35373
| 33469
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 482
| | D1min15_cis_dm
| 22214
| mimosa
| -
| 2009-11-08
| 4058
| 3357
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 72
| 72
| 508
| | D1adenine
| 22218
| mimosa
| -
| 2009-11-08
| 7779
| 7756
| 1
| 102400kb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 35
| 210
| | D1min_2och3
| 22219
| mimosa
| -
| 2009-11-09
| 28653
| 23806
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 620
| | D1cytosine
| 22220
| mimosa
| -
| 2009-11-08
| 3213
| 3198
| 1
| 102400kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D2adeninef
| 22221
| mimosa
| -
| 2009-11-08
| 4657
| 4653
| 1
| 102400kb
| Gaussian 03
| Density-Functional
| 2nd
| 35
| 35
| 210
| | D2cytosinef
| 22226
| mimosa
| -
| 2009-11-08
| 3215
| 3212
| 1
| 102400kb
| Gaussian 03
| Density-Functional
| 2nd
| -1
| -1
| -1
| | DXPR4opt9H2APw
| 38434
| redwood
| 98
| 2009-11-09
| 12476
| 24457
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| none
| 35
| 35
| 730
| | D2adeninef
| 22228
| mimosa
| -
| 2009-11-08
| 6210
| 6204
| 1
| 102400kb
| Gaussian 03
| Density-Functional
| 2nd
| 35
| 35
| 210
| | D2cytosinef
| 22227
| mimosa
| -
| 2009-11-08
| 2615
| 2612
| 1
| 102400kb
| Gaussian 03
| Density-Functional
| 2nd
| -1
| -1
| -1
| | X1dTLdTa1_M05x
| 10007
| sequoia
| 100
| 2009-11-16
| 447868
| 1783870
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | M6bBB1B_M6
| 10009
| sequoia
| 100
| 2009-11-22
| 927818
| 3708092
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6bBB1B_TM6
| 10010
| sequoia
| 100
| 2009-11-20
| 819558
| 3275739
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | D1min15_cis_dm
| 22233
| mimosa
| -
| 2009-11-09
| 24204
| 20812
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 72
| 72
| 508
| | D1min_2och3
| 22234
| mimosa
| -
| 2009-11-09
| 37916
| 34355
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 620
| | D1min15_2och3_
| 22235
| mimosa
| -
| 2009-11-09
| 69701
| 41166
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 620
| | D1min15_2oh_63
| 22236
| mimosa
| -
| 2009-11-09
| 17620
| 10962
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 552
| | D1min15_2och3_
| 22237
| mimosa
| -
| 2009-11-11
| 157577
| 142490
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 620
| | G4cbh1
| 10011
| sequoia
| 100
| 2009-11-11
| 20020
| 79880
| 4
| 3000mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | G4cbh2
| 10012
| sequoia
| 100
| 2009-11-11
| 20011
| 79878
| 4
| 3000mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | M4svt1bhn
| 38435
| redwood
| 78
| 2009-11-09
| 56138
| 175821
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 47
| 47
| 283
| | M4q1578m
| 22242
| mimosa
| -
| 2009-11-12
| 272023
| 271216
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 28
| 28
| 176
| | M4q78
| 22239
| mimosa
| -
| 2009-11-11
| 189447
| 188952
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 41
| 41
| 264
| | M4q92610m
| 22243
| mimosa
| -
| 2009-11-13
| 362040
| 360814
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 45
| 45
| 295
| | M4q92
| 22240
| mimosa
| -
| 2009-11-10
| 131801
| 131502
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 45
| 45
| 295
| | M4q15
| 22238
| mimosa
| -
| 2009-11-09
| 49174
| 48999
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 28
| 28
| 176
| | M4q610
| 22241
| mimosa
| -
| 2009-11-11
| 182197
| 181669
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 36
| 36
| 238
| | M4cmpn1
| 10016
| sequoia
| 100
| 2009-11-11
| 24110
| 96195
| 4
| 3000mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M4vtcbmpn
| 10015
| sequoia
| 100
| 2009-11-13
| 244550
| 488974
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | G4r12n
| 10013
| sequoia
| 100
| 2009-11-09
| 19405
| 38790
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | M4cmpn2
| 10017
| sequoia
| 100
| 2009-11-11
| 20035
| 79919
| 4
| 3000mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M4vtbmpn
| 10014
| sequoia
| 100
| 2009-11-12
| 254175
| 508240
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M4svt2bhn
| 38436
| redwood
| 74
| 2009-11-10
| 87552
| 257796
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 76
| 76
| 428
| | M4vtampn
| 38439
| redwood
| 93
| 2009-11-13
| 330460
| 611518
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| 57
| 57
| 321
| | J6cooh_int1_et
| 38441
| redwood
| 69
| 2009-11-16
| 655472
| 899469
| 2
| 800mb
| Gaussian 09
| Many-body Perturbative
|
| 89
| 89
| 409
| | M4vtcampn
| 38440
| redwood
| 81
| 2009-11-12
| 283409
| 461347
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| 27
| 27
| 157
| | M4svt3bhn
| 38437
| redwood
| 76
| 2009-11-12
| 167225
| 507473
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 51
| 51
| 302
| | M4svtbhn
| 38438
| redwood
| 74
| 2009-11-11
| 29903
| 88109
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 47
| 47
| 283
| | D1Opt8NR2APw
| 38446
| redwood
| 80
| 2009-11-12
| 239522
| 383628
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | J4cooh_int2_n2
| 38445
| redwood
| 93
| 2009-11-11
| 174597
| 326494
| 2
| 800mb
| Gaussian 09
| Many-body Perturbative
|
| 82
| 82
| 379
| | J4cooh_int2_in
| 38444
| redwood
| 92
| 2009-11-11
| 160198
| 293999
| 2
| 800mb
| Gaussian 09
| Many-body Perturbative
|
| 82
| 82
| 379
| | D1min15_scan
| 22245
| mimosa
| -
| 2009-11-09
| 9210
| 8480
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 72
| 72
| 398
| | D1Opt10NR2AP
| 38447
| redwood
| 68
| 2009-11-14
| 284245
| 388986
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | DXmin15_2oh_63
| 22246
| mimosa
| -
| 2009-11-09
| 20494
| 19860
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 80
| 80
| 552
| | X1dGpadG_M5_PC
| 22247
| mimosa
| -
| 2009-11-19
| 888688
| 742102
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | G65OPhCl8Me-ra
| 38448
| redwood
| 89
| 2009-11-11
| 45510
| 161301
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 95
| 94
| 560
| | G6all-R-ra
| 38450
| redwood
| 95
| 2009-11-10
| 54052
| 103170
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 78
| 77
| 420
| | G6all-R-n-pro-
| 38449
| redwood
| 98
| 2009-11-10
| 90300
| 176979
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 77
| 77
| 531
| | D1min12_2oh
| 22253
| mimosa
| -
| 2009-11-09
| 20369
| 17352
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 85
| 85
| 455
| | D1min12_2och3
| 22254
| mimosa
| -
| 2009-11-09
| 19403
| 13832
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 93
| 93
| 503
| | D1Reduced-wate
| 10029
| sequoia
| 100
| 2009-11-17
| 472827
| 1887731
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | M6BBB_TM06
| 10028
| sequoia
| 100
| 2009-11-20
| 684145
| 2734356
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | D1Reduced-swit
| 10030
| sequoia
| 99
| 2009-11-15
| 231080
| 918516
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | M6BBB1_Tm6
| 10026
| sequoia
| 100
| 2009-11-14
| 217035
| 867497
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | G6all-S-ra-pro
| 38452
| redwood
| 94
| 2009-11-10
| 60817
| 114497
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 78
| 77
| 425
| | J6bn3-nh135sca
| 38454
| redwood
| 76
| 2009-11-12
| 236225
| 356970
| 2
| 1600mb
| Gaussian 09
| Many-body Perturbative
|
| 66
| 66
| 282
| | G6all-S-n-pro-
| 38453
| redwood
| 87
| 2009-11-11
| 173193
| 301585
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 77
| 77
| 531
| | G6all-S-n-diff
| 38451
| redwood
| 83
| 2009-11-09
| 32342
| 53708
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 77
| 77
| 420
| | D1B3LYP6-31+Gs
| 22260
| mimosa
| -
| 2009-11-10
| 54458
| 44831
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 74
| 73
| 404
| | D1B3LYP6-31+Gs
| 22259
| mimosa
| -
| 2009-11-11
| 133663
| 114776
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 75
| 74
| 404
| | D1as23b-cl-coo
| 22258
| mimosa
| -
| 2009-11-21
| 1055699
| 877155
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 244
| 244
| 973
| | D1as23b-cl-cf3
| 38464
| redwood
| 85
| 2009-11-13
| 315600
| 537020
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 161
| 161
| 321
| | DXas23bcl-tr
| 38461
| redwood
| 97
| 2009-11-10
| 121954
| 236751
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| none
| 141
| 141
| 292
| | DXB3LYPMP4
| 38458
| redwood
| 89
| 2009-11-09
| 3406
| 6081
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | DXCQ1
| 22280
| mimosa
| -
| 2009-11-09
| 3577
| 2833
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| 35
| 34
| 214
| | mak_4wks
| 22275
| mimosa
| -
| 2009-11-09
| 1646
| 1617
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | D2k07-n
| 22279
| mimosa
| -
| 2009-11-20
| 896923
| 802856
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 2nd
| 149
| 149
| 795
| | H2HFIPfreq
| 22267
| mimosa
| -
| 2009-11-10
| 42207
| 39388
| 2
| 1638400kb
| Gaussian 03
| Hartree-Fock
| 2nd
| 74
| 73
| 404
| | mak_4wks
| 22274
| mimosa
| -
| 2009-11-09
| 1654
| 1635
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | H2HFEAfreq
| 22266
| mimosa
| -
| 2009-11-10
| 42217
| 38930
| 2
| 1638400kb
| Gaussian 03
| Hartree-Fock
| 2nd
| 75
| 74
| 404
| | mak_4wks
| 22282
| mimosa
| -
| 2009-11-09
| 20130
| 19682
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22281
| mimosa
| -
| 2009-11-09
| 20136
| 19673
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | I25
| 10038
| sequoia
| 82
| 2009-11-12
| 558
| 1836
| 4
| 3500mb
| Gaussian 03
| Configuration Interaction
| 2nd
| -1
| -1
| -1
| | D1mgmc-arg-o10
| 38469
| redwood
| 64
| 2009-11-12
| 21091
| 53944
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| 96
| 96
| 626
| | D1mgmc-arg-o10
| 38472
| redwood
| 58
| 2009-11-13
| 57239
| 133594
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| 96
| 96
| 626
| | D2min15_scan
| 22284
| mimosa
| -
| 2009-11-11
| 165512
| 159414
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 2nd
| 72
| 72
| 398
| | D1so2_7w_2a
| 22285
| mimosa
| -
| 2009-11-09
| 14857
| 7282
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 51
| 51
| 228
| | D2mgmc-arg-o10
| 38473
| redwood
| 76
| 2009-11-13
| 56076
| 170826
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 96
| 96
| 626
| | DXCQN61
| 22286
| mimosa
| -
| 2009-11-09
| 941
| 848
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | DXB3LYPMP4
| 38474
| redwood
| 94
| 2009-11-09
| 5044
| 9461
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| none
| 74
| 74
| 512
| | DXCQN62
| 22287
| mimosa
| -
| 2009-11-09
| 938
| 836
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | MMBBB1_m6td
| 10041
| sequoia
| 100
| 2009-11-14
| 113430
| 453548
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | D1rest2_2_0F_S
| 38475
| redwood
| 69
| 2009-11-12
| 259255
| 718514
| 4
| 3584mb
| Gaussian 03
| Density-Functional
| 1st
| 105
| 105
| 636
| | D1rest2_2_2F_S
| 38476
| redwood
| 66
| 2009-11-13
| 271226
| 715936
| 4
| 3584mb
| Gaussian 03
| Density-Functional
| 1st
| 105
| 105
| 636
| | DXCQN9
| 22288
| mimosa
| -
| 2009-11-09
| 1654
| 1495
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | D1min12_2oh
| 22296
| mimosa
| -
| 2009-11-10
| 29132
| 24581
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 85
| 85
| 455
| | D1min15_2och3_
| 22298
| mimosa
| -
| 2009-11-10
| 39569
| 14252
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 620
| | D1min12_2och3
| 22297
| mimosa
| -
| 2009-11-10
| 29004
| 18234
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 93
| 93
| 503
| | M4r12mpn
| 22295
| mimosa
| -
| 2009-11-12
| 206984
| 206592
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 58
| 58
| 334
| | M6antr
| 38482
| redwood
| 83
| 2009-11-10
| 8063
| 13307
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| 47
| 47
| 246
| | M6napht
| 38480
| redwood
| 84
| 2009-11-10
| 2430
| 4106
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| 34
| 34
| 180
| | M4svt4bhn
| 38483
| redwood
| 83
| 2009-11-11
| 144924
| 483118
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 111
| 111
| 606
| | M6phen
| 38481
| redwood
| 90
| 2009-11-10
| 9236
| 16691
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| 47
| 47
| 246
| | E2min15_2oh_ts
| 22299
| mimosa
| -
| 2009-11-10
| 19051
| 17228
| 2
| 1843200kb
| Gaussian 03
| Empirical
| 2nd
| 54
| 54
| 98
| | H1ppp
| 22300
| mimosa
| -
| 2009-11-12
| 182164
| 137822
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| 1st
| 480
| 480
| 1312
| | GM4x6
| 38485
| redwood
| 98
| 2009-11-10
| 3159
| 12426
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 168
| 168
| 432
| | GM3x6
| 38484
| redwood
| 98
| 2009-11-10
| 1192
| 4668
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 126
| 126
| 324
| | GM8x6
| 38489
| redwood
| 82
| 2009-11-11
| 20363
| 66973
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 336
| 336
| 864
| | GM6x6
| 38487
| redwood
| 95
| 2009-11-10
| 10314
| 39384
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 252
| 252
| 648
| | GM5x6
| 38486
| redwood
| 82
| 2009-11-10
| 6611
| 21649
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 210
| 210
| 540
| | GM7x6
| 38488
| redwood
| 97
| 2009-11-10
| 15611
| 60428
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 294
| 294
| 756
| | D1min15_2oh_ts
| 22301
| mimosa
| -
| 2009-11-12
| 176010
| 161366
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 552
| | D2min15_2och3_
| 22302
| mimosa
| -
| 2009-11-11
| 124784
| 121742
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 2nd
| 88
| 88
| 620
| | D1min12_2oh
| 22303
| mimosa
| -
| 2009-11-10
| 5246
| 3130
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 85
| 85
| 455
| | D1min12_2och3
| 22304
| mimosa
| -
| 2009-11-10
| 4169
| 3900
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 93
| 93
| 503
| | DXCQAd
| 22305
| mimosa
| -
| 2009-11-10
| 1067
| 705
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | D1min12_2oh
| 22306
| mimosa
| -
| 2009-11-10
| 28294
| 25464
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 85
| 85
| 455
| | DXCQC8p
| 22308
| mimosa
| -
| 2009-11-10
| 2371
| 1461
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | D1min12_2och3
| 22307
| mimosa
| -
| 2009-11-10
| 28293
| 20149
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 93
| 93
| 503
| | D1min15_2oh_tr
| 22313
| mimosa
| -
| 2009-11-11
| 54471
| 41912
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 552
| | D1ENa
| 22311
| mimosa
| -
| 2009-11-10
| 8134
| 5144
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 31
| 31
| 197
| | MMopen
| 10045
| sequoia
| 100
| 2009-11-12
| 9445
| 18886
| 2
| 800mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | MMpp
| 10044
| sequoia
| 100
| 2009-11-12
| 20008
| 40009
| 2
| 800mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | G6all-S-n-diff
| 38492
| redwood
| 91
| 2009-11-11
| 81376
| 148715
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 77
| 77
| 525
| | G6all-R-ra-dif
| 38493
| redwood
| 91
| 2009-11-13
| 250472
| 456391
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 78
| 77
| 525
| | G6all-S-ra-pro
| 38494
| redwood
| 86
| 2009-11-14
| 312382
| 537294
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 78
| 77
| 531
| | M6BBB1_m6
| 22319
| mimosa
| -
| 2009-11-10
| 2257
| 2255
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6BBB1_m6
| 22316
| mimosa
| -
| 2009-11-10
| 2724
| 2706
| 4
| 2048000kb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | X1dGpadG_M5_DZ
| 22320
| mimosa
| -
| 2009-11-18
| 728680
| 573341
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | GMA-B3LYP-TDPC
| 10048
| sequoia
| 100
| 2009-11-14
| 34810
| 139103
| 4
| 3072mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | MMFBF_M6td
| 22326
| mimosa
| -
| 2009-11-15
| 392507
| 391554
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 121
| 121
| 758
| | D1ts_B1
| 22322
| mimosa
| -
| 2009-11-10
| 27089
| 24660
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 46
| 46
| 201
| | D1ts_H1
| 22323
| mimosa
| -
| 2009-11-10
| 28885
| 26468
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 46
| 46
| 201
| | MMBBB1_m6td
| 22325
| mimosa
| -
| 2009-11-13
| 292356
| 292204
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | D1so2a_7w
| 22324
| mimosa
| -
| 2009-11-11
| 57329
| 38091
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 52
| 51
| 232
| | GMC-B3LYP-TDPC
| 10050
| sequoia
| 100
| 2009-11-14
| 16298
| 65093
| 4
| 3072mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | GMG-B3LYP-TDPC
| 10049
| sequoia
| 100
| 2009-11-14
| 53981
| 215751
| 4
| 3072mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | GMT-B3LYP-TDPC
| 10051
| sequoia
| 100
| 2009-11-14
| 34048
| 136065
| 4
| 3072mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | X2ts_45
| 38498
| redwood
| 78
| 2009-11-12
| 155958
| 243093
| 2
| 1000mb
| Gaussian 03
| Exotic
| 2nd
| 57
| 57
| 301
| | X2prod_34
| 38499
| redwood
| 81
| 2009-11-10
| 19071
| 31008
| 2
| 1000mb
| Gaussian 03
| Exotic
| 2nd
| 57
| 57
| 301
| | GMGC-B3LYP-TDP
| 38497
| redwood
| 81
| 2009-11-14
| 282747
| 916285
| 4
| 3584mb
| Gaussian 09
| Density-Functional
|
| 68
| 68
| 488
| | GMAT-B3LYP-TDP
| 38496
| redwood
| 73
| 2009-11-15
| 354864
| 1035570
| 4
| 3584mb
| Gaussian 09
| Density-Functional
|
| 68
| 68
| 495
| | mak_4wks
| 22330
| mimosa
| -
| 2009-11-10
| 2963
| 2854
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22332
| mimosa
| -
| 2009-11-10
| 2853
| 2777
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22327
| mimosa
| -
| 2009-11-10
| 2973
| 2921
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | M6BBB1_m6
| 22329
| mimosa
| -
| 2009-11-10
| 2968
| 2963
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | D1min15_2oh_mi
| 22334
| mimosa
| -
| 2009-11-11
| 63090
| 60952
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 552
| | mak_4wks
| 22328
| mimosa
| -
| 2009-11-10
| 2978
| 2925
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | M6BBB1_m6
| 22333
| mimosa
| -
| 2009-11-19
| 780126
| 779594
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | mak_4wks
| 22331
| mimosa
| -
| 2009-11-10
| 2848
| 2773
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | D1B3TertLeuOpt
| 22337
| mimosa
| -
| 2009-11-10
| 1169
| 294
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1B3DiTertLeuS
| 22339
| mimosa
| -
| 2009-11-11
| 78336
| 50726
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 83
| 83
| 235
| | D1Opt11NR2AP
| 38502
| redwood
| 71
| 2009-11-16
| 375177
| 533927
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | isoB_1v_0676DT
| 10055
| sequoia
| 100
| 2009-11-14
| 301780
| 2410478
| 8
| 15728640kb
|
| PSI
|
| -1
| -1
| -1
| | isoB_1v_0491DT
| 10053
| sequoia
| 100
| 2009-11-14
| 294626
| 2354264
| 8
| 15728640kb
|
| PSI
|
| -1
| -1
| -1
| | isoB_1v_0676
| 10054
| sequoia
| 100
| 2009-11-13
| 283713
| 2259416
| 8
| 15728640kb
|
| PSI
|
| -1
| -1
| -1
| | isoB_1v_0491
| 10052
| sequoia
| 100
| 2009-11-13
| 276715
| 2203596
| 8
| 15728640kb
|
| PSI
|
| -1
| -1
| -1
| | D1azb_cis
| 38504
| redwood
| 82
| 2009-11-11
| 77450
| 127398
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 56
| 56
| 376
| | D1azb_trans
| 38505
| redwood
| 77
| 2009-11-11
| 54980
| 85167
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 52
| 52
| 328
| | D1phosphoran
| 10058
| sequoia
| 50
| 2009-11-14
| 85080
| 84806
| 2
| 1000mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | X2tsc3_m052x
| 10056
| sequoia
| 99
| 2009-11-14
| 106555
| 211194
| 2
| 1000mb
| Gaussian 03
| Exotic
| 2nd
| -1
| -1
| -1
| | D1Ag12
| 22343
| mimosa
| -
| 2009-11-10
| 1890
| 814
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1Opt12NR2AP
| 38507
| redwood
| 85
| 2009-11-19
| 586016
| 997437
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | mak_4wks
| 22350
| mimosa
| -
| 2009-11-11
| 20740
| 20490
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22348
| mimosa
| -
| 2009-11-11
| 20750
| 20405
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22351
| mimosa
| -
| 2009-11-11
| 20736
| 20471
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22347
| mimosa
| -
| 2009-11-11
| 20846
| 20508
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22349
| mimosa
| -
| 2009-11-11
| 20755
| 20487
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22352
| mimosa
| -
| 2009-11-11
| 20619
| 20358
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | D1min12_2och3
| 22353
| mimosa
| -
| 2009-11-11
| 9933
| 9294
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| 1st
| 93
| 93
| 648
| | D1min12_2och3
| 22355
| mimosa
| -
| 2009-11-11
| 8611
| 8042
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| 1st
| 93
| 93
| 648
| | H1ttt_r
| 22356
| mimosa
| -
| 2009-11-17
| 564445
| 536989
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| 1st
| -1
| -1
| -1
| | M6q3bh
| 22357
| mimosa
| -
| 2009-11-11
| 70293
| 69101
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 60
| 60
| 240
| | M6q4b
| 38508
| redwood
| 76
| 2009-11-11
| 10163
| 31024
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 56
| 56
| 272
| | D1min12_2och3
| 22358
| mimosa
| -
| 2009-11-11
| 1293
| 1258
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | mak_4wks
| 22364
| mimosa
| -
| 2009-11-11
| 20375
| 20070
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22363
| mimosa
| -
| 2009-11-11
| 20378
| 20167
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22361
| mimosa
| -
| 2009-11-11
| 20408
| 20165
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | D1min12_2och3
| 22366
| mimosa
| -
| 2009-11-11
| 33937
| 26343
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 93
| 93
| 648
| | mak_4wks
| 22362
| mimosa
| -
| 2009-11-11
| 20385
| 20067
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | mak_4wks
| 22365
| mimosa
| -
| 2009-11-11
| 20260
| 20017
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | DXmin15_2och3_
| 22359
| mimosa
| -
| 2009-11-11
| 17855
| 8747
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| none
| 88
| 88
| 620
| | mak_4wks
| 22360
| mimosa
| -
| 2009-11-11
| 20519
| 20347
| 1
| 400mb
| Amber
| PMEMD
|
| -1
| -1
| -1
| | D1min12_2oh
| 22367
| mimosa
| -
| 2009-11-11
| 33807
| 28681
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 85
| 85
| 455
| | G4cooh_ts2_eth
| 10062
| sequoia
| 92
| 2009-11-15
| 55688
| 204170
| 4
| 3000mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | G4cooh_ts1_eth
| 10061
| sequoia
| 93
| 2009-11-15
| 42337
| 156985
| 4
| 3000mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | J4cooh_int2_n2
| 38509
| redwood
| 88
| 2009-11-13
| 159086
| 281222
| 2
| 800mb
| Gaussian 09
| Many-body Perturbative
|
| 82
| 82
| 379
| | J4cooh_int2_in
| 38510
| redwood
| 95
| 2009-11-13
| 162471
| 309245
| 2
| 800mb
| Gaussian 09
| Many-body Perturbative
|
| 82
| 82
| 379
| | D1min15_2oh_mi
| 22368
| mimosa
| -
| 2009-11-11
| 54931
| 53151
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 552
| | GM10x6
| 38514
| redwood
| 91
| 2009-11-11
| 26234
| 95060
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 420
| 420
| 1080
| | GM9x6
| 38513
| redwood
| 98
| 2009-11-11
| 27584
| 108273
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 378
| 378
| 972
| | J6cooh_ish1_et
| 38512
| redwood
| 73
| 2009-11-15
| 323232
| 472559
| 2
| 800mb
| Gaussian 09
| Many-body Perturbative
|
| 89
| 89
| 409
| | GM12x6
| 38515
| redwood
| 97
| 2009-11-12
| 36684
| 142617
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 504
| 504
| 1296
| | M6grp7_9-M05
| 38516
| redwood
| 69
| 2009-11-14
| 263449
| 730267
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 467
| 467
| 2420
| | D1so2a_7w_2
| 22370
| mimosa
| -
| 2009-11-12
| 76693
| 46834
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 52
| 51
| 232
| | M4p35
| 22369
| mimosa
| -
| 2009-11-11
| 20277
| 20169
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 21
| 21
| 144
| | X1dTLdTa_M05x3
| 22371
| mimosa
| -
| 2009-11-13
| 169193
| 69122
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | M6grp7_3-M05
| 38517
| redwood
| 81
| 2009-11-13
| 117075
| 379840
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1010
| | M6grp7_4-UM05
| 38519
| redwood
| 73
| 2009-11-15
| 192169
| 560686
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 231
| 230
| 1210
| | M4sd9abh
| 38520
| redwood
| 94
| 2009-11-11
| 15527
| 58485
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 77
| 76
| 428
| | M6grp7_2-UM05
| 38518
| redwood
| 91
| 2009-11-12
| 68154
| 248520
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 139
| 138
| 740
| | M4vtmpn
| 38521
| redwood
| 68
| 2009-11-12
| 31241
| 85514
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 51
| 51
| 302
| | E2ppp_ts
| 22372
| mimosa
| -
| 2009-11-11
| 840
| 831
| 2
| 1638400kb
| Gaussian 03
| Empirical
| 2nd
| -1
| -1
| -1
| | D1min15_2oh_tr
| 22373
| mimosa
| -
| 2009-11-12
| 72225
| 66814
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 552
| | CXcpd1cis1qz
| 38525
| redwood
| 100
| 2009-11-11
| 3737
| 3724
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| none
| 16
| 16
| 280
| | CXcpd2trans1qz
| 38526
| redwood
| 99
| 2009-11-11
| 3592
| 3561
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| none
| 16
| 16
| 280
| | D1B3LYP6-31+Gs
| 22375
| mimosa
| -
| 2009-11-14
| 280557
| 218748
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 74
| 73
| 404
| | E2ppp_ts
| 22379
| mimosa
| -
| 2009-11-14
| 217536
| 217447
| 1
| 409600kb
| Gaussian 03
| Empirical
| 2nd
| 384
| 384
| 608
| | M4vt35mpn
| 22378
| mimosa
| -
| 2009-11-13
| 164002
| 163343
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 40
| 40
| 251
| | X1dTLdTa_QST2
| 22376
| mimosa
| -
| 2009-11-18
| 575427
| 472635
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | D1B3LYP6-31+Gs
| 22374
| mimosa
| -
| 2009-11-12
| 125735
| 107949
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 75
| 74
| 404
| | D1al2o3oh9w1
| 10068
| sequoia
| 99
| 2009-11-17
| 181440
| 719478
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | G65Oimine-n-DZ
| 38527
| redwood
| 91
| 2009-11-12
| 57181
| 103765
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 57
| 57
| 376
| | G65OPhCH3-ra
| 38528
| redwood
| 82
| 2009-11-15
| 185503
| 305457
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 91
| 90
| 495
| | PXB3LYPMP4
| 38530
| redwood
| 83
| 2009-11-11
| 2042
| 3396
| 2
| 1600mb
| Gaussian 03
| Many-body Perturbative
| none
| 74
| 74
| 512
| | DXCQN9p
| 22380
| mimosa
| -
| 2009-11-11
| 1056
| 993
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | D1ENa1
| 22383
| mimosa
| -
| 2009-11-11
| 2491
| 1948
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | PXB3LYPMP4
| 22384
| mimosa
| -
| 2009-11-11
| 3695
| 3588
| 2
| 1638400kb
| Gaussian 03
| Many-body Perturbative
| none
| 74
| 74
| 512
| | D2B3DiTertLeuS
| 22392
| mimosa
| -
| 2009-11-11
| 7537
| 7381
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 2nd
| 83
| 83
| 235
| | DXCQN61p
| 22385
| mimosa
| -
| 2009-11-11
| 3449
| 2243
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | D1glutathione-
| 22387
| mimosa
| -
| 2009-11-12
| 85894
| 85060
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 139
| 139
| 644
| | D1min1_cc
| 22390
| mimosa
| -
| 2009-11-16
| 452697
| 380826
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 788
| | D1glutathione-
| 22386
| mimosa
| -
| 2009-11-13
| 201099
| 83492
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 135
| 135
| 629
| | X12His-Ne-Pt-d
| 22391
| mimosa
| -
| 2009-11-17
| 476649
| 423225
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 113
| 113
| 620
| | H2HF6-31+GsIPf
| 22395
| mimosa
| -
| 2009-11-12
| 54929
| 50928
| 2
| 1638400kb
| Gaussian 03
| Hartree-Fock
| 2nd
| 74
| 73
| 404
| | H2HF6-31+GsEAf
| 22394
| mimosa
| -
| 2009-11-12
| 56004
| 52522
| 2
| 1638400kb
| Gaussian 03
| Hartree-Fock
| 2nd
| 75
| 74
| 404
| | H2HF6-31+Gsfre
| 22393
| mimosa
| -
| 2009-11-11
| 28170
| 26751
| 2
| 1638400kb
| Gaussian 03
| Hartree-Fock
| 2nd
| 74
| 74
| 404
| | D1OXIME_cis
| 10078
| sequoia
| 91
| 2009-11-16
| 6689
| 24341
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1OXIME_trans
| 10079
| sequoia
| 91
| 2009-11-16
| 6568
| 23992
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | G65OPhCH3-n
| 38535
| redwood
| 80
| 2009-11-12
| 89762
| 143161
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 90
| 90
| 495
| | D1ts_H1
| 22401
| mimosa
| -
| 2009-11-12
| 8369
| 7724
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 46
| 46
| 201
| | DXCQN9p
| 22398
| mimosa
| -
| 2009-11-11
| 2736
| 2570
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | P1ENa2
| 22399
| mimosa
| -
| 2009-11-11
| 9467
| 4505
| 2
| 1638400kb
| Gaussian 03
| Many-body Perturbative
| 1st
| 31
| 31
| 126
| | D1ts_B1
| 22402
| mimosa
| -
| 2009-11-12
| 3096
| 2930
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 46
| 46
| 201
| | G6k09-09
| 22397
| mimosa
| -
| 2009-11-18
| 629323
| 627609
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 149
| 149
| 795
| | X2prod_34
| 38537
| redwood
| 70
| 2009-11-12
| 88353
| 124453
| 2
| 1000mb
| Gaussian 03
| Exotic
| 2nd
| 57
| 57
| 301
| | D1ts_lyp
| 38536
| redwood
| 82
| 2009-11-11
| 7321
| 12056
| 2
| 1000mb
| Gaussian 03
| Density-Functional
| 1st
| 33
| 33
| 176
| | H2Ag12dyna2
| 22407
| mimosa
| -
| 2009-11-12
| 10531
| 10183
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| 2nd
| 133
| 133
| 308
| | H2Ag12dyna1
| 22406
| mimosa
| -
| 2009-11-12
| 10532
| 10069
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| 2nd
| 133
| 133
| 308
| | DXCQN61p
| 22405
| mimosa
| -
| 2009-11-11
| 4652
| 4363
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| 40
| 39
| 245
| | DXCQN62p
| 22408
| mimosa
| -
| 2009-11-11
| 5733
| 4333
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| 40
| 39
| 245
| | G6all-S-n-pro-
| 38539
| redwood
| 95
| 2009-11-12
| 56799
| 107355
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 77
| 77
| 531
| | GMAT_TZ-TD
| 38540
| redwood
| 74
| 2009-11-12
| 6725
| 19891
| 4
| 3584mb
| Gaussian 09
| Density-Functional
|
| 68
| 68
| 724
| | DXCQC8p
| 22409
| mimosa
| -
| 2009-11-12
| 5371
| 5029
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| 40
| 39
| 245
| | D1min12_2och3
| 22410
| mimosa
| -
| 2009-11-12
| 36574
| 28671
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 93
| 93
| 648
| | D2min12_2oh
| 22411
| mimosa
| -
| 2009-11-12
| 14491
| 13675
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 2nd
| 85
| 85
| 455
| | M4p8mpn
| 22415
| mimosa
| -
| 2009-11-12
| 9340
| 9043
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 21
| 21
| 132
| | DXCQ1
| 22412
| mimosa
| -
| 2009-11-12
| 2731
| 2463
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | D1CQN61p_opt
| 22417
| mimosa
| -
| 2009-11-12
| 86
| 72
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1min15_2oh_tr
| 22416
| mimosa
| -
| 2009-11-12
| 37288
| 35213
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 552
| | X2GCa1_opt
| 22418
| mimosa
| -
| 2009-11-17
| 473292
| 434950
| 2
| 819200kb
| Gaussian 03
| Exotic
| 2nd
| 77
| 76
| 483
| | M4svt5bhn
| 38542
| redwood
| 66
| 2009-11-12
| 11797
| 30922
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 40
| 40
| 251
| | M4p5bh1
| 22419
| mimosa
| -
| 2009-11-12
| 9459
| 9396
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 21
| 21
| 138
| | M4p3bh1
| 38543
| redwood
| 90
| 2009-11-12
| 2429
| 4394
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | J4cooh_ts3_n2_
| 10083
| sequoia
| 99
| 2009-11-16
| 15451
| 61115
| 4
| 3000mb
| Gaussian 09
| Many-body Perturbative
|
| -1
| -1
| -1
| | J4cooh_ts3_inv
| 10084
| sequoia
| 98
| 2009-11-16
| 16047
| 63001
| 4
| 3000mb
| Gaussian 09
| Many-body Perturbative
|
| -1
| -1
| -1
| | M4c16mpn
| 38544
| redwood
| 75
| 2009-11-12
| 22043
| 65917
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 59
| 59
| 349
| | M4c12mpn
| 22420
| mimosa
| -
| 2009-11-12
| 23144
| 22747
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 33
| 33
| 179
| | M4sd6epcm
| 22421
| mimosa
| -
| 2009-11-12
| 5247
| 5191
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 33
| 33
| 183
| | D1min12_2oh
| 22422
| mimosa
| -
| 2009-11-12
| 25894
| 23112
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 85
| 85
| 455
| | MMAT-TDPC
| 38546
| redwood
| 92
| 2009-11-14
| 173904
| 638836
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 68
| 68
| 495
| | MMGC-TDPC
| 38547
| redwood
| 76
| 2009-11-15
| 142027
| 434574
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 68
| 68
| 488
| | D1min9_373
| 22423
| mimosa
| -
| 2009-11-15
| 231597
| 128391
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 542
| | D1min10_373
| 22424
| mimosa
| -
| 2009-11-13
| 58305
| 55180
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 542
| | D1min15_2oh_ts
| 22425
| mimosa
| -
| 2009-11-13
| 74982
| 69205
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 552
| | D1min9_scan
| 22426
| mimosa
| -
| 2009-11-12
| 5006
| 3554
| 4
| 2457600kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 343
| | D1sd27
| 10086
| sequoia
| 97
| 2009-11-17
| 48819
| 190043
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1sd28
| 10087
| sequoia
| 98
| 2009-11-17
| 31544
| 124231
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1Opt13NR2AP
| 38548
| redwood
| 90
| 2009-11-20
| 602095
| 1078193
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | DXazb_trans12
| 38549
| redwood
| 89
| 2009-11-12
| 2020
| 3601
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | M4vts2mp
| 22427
| mimosa
| -
| 2009-11-12
| 3459
| 3339
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | DXCQC2
| 22428
| mimosa
| -
| 2009-11-12
| 3208
| 2720
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | D1min15_2oh_ci
| 22431
| mimosa
| -
| 2009-11-13
| 92491
| 88195
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 552
| | DXCQN61p_opt
| 22430
| mimosa
| -
| 2009-11-12
| 6449
| 6324
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| none
| 40
| 39
| 245
| | epoint.pbs
| 10090
| sequoia
| 98
| 2009-11-13
| 7904
| 62248
| 8
| 14336000kb
| Unknown
|
|
| -1
| -1
| -1
| | epoint.pbs
| 10091
| sequoia
| 98
| 2009-11-14
| 7591
| 59613
| 8
| 14336000kb
| Unknown
|
|
| -1
| -1
| -1
| | M4c12bh1
| 38557
| redwood
| 74
| 2009-11-12
| 3875
| 5734
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| 33
| 33
| 179
| | M4vts2mpn
| 38556
| redwood
| 70
| 2009-11-12
| 11455
| 32124
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 47
| 47
| 283
| | DXazb_trans20
| 38559
| redwood
| 89
| 2009-11-12
| 12082
| 21564
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| none
| 52
| 52
| 328
| | G65O8Me-n-DPZ
| 38554
| redwood
| 82
| 2009-11-13
| 95222
| 155513
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 58
| 58
| 388
| | DXchlorfenwfn
| 38553
| redwood
| 73
| 2009-11-12
| 5441
| 7930
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| none
| 92
| 92
| 570
| | M4c15mp
| 38555
| redwood
| 81
| 2009-11-12
| 22506
| 36470
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| 42
| 42
| 247
| | GMclip_pp_Cs
| 38558
| redwood
| 98
| 2009-11-12
| 379
| 372
| 1
| 600mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | M4q4bh1
| 22434
| mimosa
| -
| 2009-11-13
| 59553
| 59334
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 56
| 56
| 272
| | P1anil-pl
| 22438
| mimosa
| -
| 2009-11-12
| 8011
| 7726
| 2
| 1843200kb
| Gaussian 03
| Many-body Perturbative
| 1st
| 25
| 25
| 483
| | M6q3mp
| 22435
| mimosa
| -
| 2009-11-13
| 84122
| 83678
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 60
| 60
| 240
| | P1anion-pl
| 22442
| mimosa
| -
| 2009-11-12
| 11016
| 10562
| 2
| 1843200kb
| Gaussian 03
| Many-body Perturbative
| 1st
| 25
| 25
| 460
| | D2cytosinef
| 22443
| mimosa
| -
| 2009-11-12
| 480
| 479
| 1
| 102400kb
| Gaussian 03
| Density-Functional
| 2nd
| -1
| -1
| -1
| | P1anion-pyr
| 22440
| mimosa
| -
| 2009-11-12
| 11252
| 11127
| 2
| 1843200kb
| Gaussian 03
| Many-body Perturbative
| 1st
| 25
| 25
| 460
| | P1anil-pyr
| 22439
| mimosa
| -
| 2009-11-12
| 11369
| 11155
| 2
| 1843200kb
| Gaussian 03
| Many-body Perturbative
| 1st
| 25
| 25
| 483
| | D2adeninef
| 22441
| mimosa
| -
| 2009-11-12
| 4058
| 4056
| 1
| 102400kb
| Gaussian 03
| Density-Functional
| 2nd
| 35
| 35
| 210
| | DXCQN9p
| 22432
| mimosa
| -
| 2009-11-12
| 6089
| 5534
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| 40
| 39
| 245
| | M4q3bh1
| 22433
| mimosa
| -
| 2009-11-12
| 23609
| 23449
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 60
| 60
| 240
| | GMclip_pp_Cs
| 38560
| redwood
| 79
| 2009-11-12
| 19970
| 31366
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 194
| 194
| 956
| | M6FBF_TM6
| 38567
| redwood
| 65
| 2009-11-16
| 121354
| 315613
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 122
| 120
| 758
| | D1min15_2och3_
| 22447
| mimosa
| -
| 2009-11-13
| 106412
| 83641
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 620
| | eica2
| 22446
| mimosa
| -
| 2009-11-12
| 9569
| 9555
| 1
| 921600kb
| Unknown
|
|
| -1
| -1
| -1
| | eica1
| 22445
| mimosa
| -
| 2009-11-12
| 9682
| 9675
| 1
| 921600kb
| Unknown
|
|
| -1
| -1
| -1
| | D1min9_scan
| 22448
| mimosa
| -
| 2009-11-13
| 52052
| 31944
| 4
| 2457600kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 343
| | DXCQN62p
| 22444
| mimosa
| -
| 2009-11-12
| 6210
| 4999
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| 40
| 39
| 245
| | M6ts1_88
| 38571
| redwood
| 56
| 2009-11-14
| 150599
| 168541
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 32
| 32
| 136
| | MMBBB1_M6td
| 38568
| redwood
| 96
| 2009-11-16
| 136033
| 523149
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | M6DIM3
| 38570
| redwood
| 66
| 2009-11-13
| 101681
| 134506
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 42
| 42
| 300
| | M6DIM4
| 38572
| redwood
| 76
| 2009-11-13
| 21966
| 33545
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 42
| 42
| 300
| | M6DIM
| 38569
| redwood
| 64
| 2009-11-12
| 33659
| 42879
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 42
| 42
| 1020
| | H2Ag12dyna4
| 22451
| mimosa
| -
| 2009-11-14
| 161851
| 148828
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| 2nd
| 133
| 133
| 308
| | H2Ag12dyna3
| 22450
| mimosa
| -
| 2009-11-14
| 169926
| 153771
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| 2nd
| 133
| 133
| 308
| | F4Ag12dyna4
| 38574
| redwood
| 90
| 2009-11-13
| 86592
| 156427
| 2
| 1600mb
| Gaussian 09
| Hartree-Fock
|
| 133
| 133
| 308
| | F4Ag12dyna3
| 38573
| redwood
| 92
| 2009-11-13
| 91418
| 168094
| 2
| 1600mb
| Gaussian 09
| Hartree-Fock
|
| 133
| 133
| 308
| | D1glut-pacid-2
| 22454
| mimosa
| -
| 2009-11-13
| 106052
| 84740
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 139
| 139
| 644
| | D11h2o_tz_opt
| 22453
| mimosa
| -
| 2009-11-13
| 32133
| 16250
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| 1st
| 26
| 26
| 328
| | DXCQN61
| 22456
| mimosa
| -
| 2009-11-12
| 944
| 870
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | D1glut-pacid-1
| 22455
| mimosa
| -
| 2009-11-13
| 85410
| 84074
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 135
| 135
| 629
| | M6q4mp
| 22457
| mimosa
| -
| 2009-11-15
| 219820
| 218825
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 56
| 56
| 272
| | J6bn3-nh135sca
| 38575
| redwood
| 66
| 2009-11-16
| 273840
| 359386
| 2
| 1600mb
| Gaussian 09
| Many-body Perturbative
|
| 66
| 66
| 282
| | DXCQN62
| 22459
| mimosa
| -
| 2009-11-12
| 3695
| 3455
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| 35
| 34
| 214
| | M4sd5amp
| 38576
| redwood
| 86
| 2009-11-13
| 27334
| 94548
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 89
| 88
| 505
| | DXCQN9
| 22460
| mimosa
| -
| 2009-11-12
| 2732
| 2522
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | D1adenine
| 22461
| mimosa
| -
| 2009-11-12
| 555
| 500
| 2
| 204800kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | X1dGpdGa_M5_PC
| 22462
| mimosa
| -
| 2009-11-15
| 187062
| 177014
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | D1min2_373
| 22464
| mimosa
| -
| 2009-11-14
| 93602
| 75808
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 542
| | D1min1_6311_1
| 22471
| mimosa
| -
| 2009-11-13
| 19402
| 15737
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 536
| | H1anil-pyr
| 22468
| mimosa
| -
| 2009-11-15
| 134748
| 123324
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| 1st
| 25
| 25
| 119
| | D2min1_6311
| 22470
| mimosa
| -
| 2009-11-13
| 34528
| 32462
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 2nd
| 77
| 77
| 536
| | H1anion-pyr
| 22467
| mimosa
| -
| 2009-11-14
| 132940
| 123859
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| 1st
| 25
| 25
| 117
| | H1anil-pl
| 22465
| mimosa
| -
| 2009-11-14
| 107858
| 88672
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| 1st
| 25
| 25
| 119
| | H1anion-pl
| 22466
| mimosa
| -
| 2009-11-13
| 78943
| 69648
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| 1st
| 25
| 25
| 117
| | M6q4m
| 38577
| redwood
| 70
| 2009-11-13
| 15896
| 44515
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 56
| 56
| 272
| | M4q3bh2
| 38579
| redwood
| 94
| 2009-11-13
| 952
| 1799
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6q3m
| 38578
| redwood
| 81
| 2009-11-13
| 21192
| 34193
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| 60
| 60
| 240
| | M4q4bh2
| 38580
| redwood
| 69
| 2009-11-13
| 5784
| 7939
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| 57
| 56
| 272
| | M4q10ampn
| 38583
| redwood
| 71
| 2009-11-13
| 8315
| 23717
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 55
| 54
| 352
| | M4p35bhdop
| 38582
| redwood
| 85
| 2009-11-13
| 1563
| 2664
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| 21
| 21
| 144
| | M4p35mpdop
| 38581
| redwood
| 85
| 2009-11-13
| 1660
| 2817
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | D1min_b_373
| 22473
| mimosa
| -
| 2009-11-13
| 2129
| 1722
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | GM8x6-6-311Gd
| 38585
| redwood
| 79
| 2009-11-15
| 192753
| 610688
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 336
| 336
| 1632
| | GM8x6-6-31G2df
| 38586
| redwood
| 79
| 2009-11-15
| 191463
| 607442
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 336
| 336
| 1632
| | GM8x6-6-31pGd
| 38588
| redwood
| 98
| 2009-11-18
| 456457
| 1793257
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 336
| 336
| 1632
| | GM8x6-6-311G2d
| 38584
| redwood
| 78
| 2009-11-15
| 196426
| 611119
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 336
| 336
| 1632
| | GM8x6-6-31G2d
| 38587
| redwood
| 74
| 2009-11-15
| 181077
| 536508
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 336
| 336
| 1632
| | DXmin15_2oh_tr
| 22475
| mimosa
| -
| 2009-11-13
| 5132
| 4794
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| none
| 80
| 80
| 552
| | D2min15_2oh_ts
| 22474
| mimosa
| -
| 2009-11-14
| 126462
| 122294
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 2nd
| 80
| 80
| 552
| | D1min12_ts
| 22476
| mimosa
| -
| 2009-11-13
| 7292
| 6669
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 343
| | D1min12_d_s_mi
| 22477
| mimosa
| -
| 2009-11-14
| 94292
| 85451
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 542
| | D1Opt7NR-2AP
| 38590
| redwood
| 81
| 2009-11-21
| 668483
| 1077160
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | X1Fe2_Por_ImNO
| 10093
| sequoia
| 97
| 2009-11-18
| 91685
| 357567
| 4
| 3200mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | X1Zn-Por-MeIm-
| 10095
| sequoia
| 97
| 2009-11-17
| 25066
| 97208
| 4
| 3200mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | X1Zn-Por-MeIm-
| 10094
| sequoia
| 96
| 2009-11-17
| 59372
| 227791
| 4
| 3200mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | XXg2_pro_1
| 38592
| redwood
| 78
| 2009-11-13
| 4073
| 6386
| 2
| 800mb
| Gaussian 03
| Exotic
| none
| 5
| 4
| 21
| | XXg2_sub_1
| 38591
| redwood
| 57
| 2009-11-13
| 8931
| 10198
| 2
| 800mb
| Gaussian 03
| Exotic
| none
| 5
| 5
| 23
| | eica2
| 22480
| mimosa
| -
| 2009-11-17
| 326212
| 326144
| 1
| 921600kb
| Unknown
|
|
| -1
| -1
| -1
| | eica4
| 22482
| mimosa
| -
| 2009-11-17
| 379207
| 379122
| 1
| 921600kb
| Unknown
|
|
| -1
| -1
| -1
| | eica3
| 22481
| mimosa
| -
| 2009-11-17
| 386381
| 386308
| 1
| 921600kb
| Unknown
|
|
| -1
| -1
| -1
| | eica1
| 22479
| mimosa
| -
| 2009-11-17
| 318984
| 318911
| 1
| 921600kb
| Unknown
|
|
| -1
| -1
| -1
| | D1tnt-2-vin-fr
| 22483
| mimosa
| -
| 2009-11-14
| 80372
| 78385
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 86
| 86
| 420
| | G65OPhCH3-n-di
| 38593
| redwood
| 74
| 2009-11-15
| 211659
| 314640
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 90
| 90
| 619
| | G65OPhCH3-n-DZ
| 38594
| redwood
| 86
| 2009-11-16
| 209609
| 359703
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 90
| 90
| 619
| | X1AuTPSSTZ
| 22486
| mimosa
| -
| 2009-11-13
| 171
| 157
| 1
| 409600kb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | D1B3DiTertLeuC
| 22492
| mimosa
| -
| 2009-11-14
| 18094
| 11597
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 79
| 79
| 231
| | X2prod_34
| 38596
| redwood
| 79
| 2009-11-13
| 27938
| 44092
| 2
| 1000mb
| Gaussian 03
| Exotic
| 2nd
| 57
| 57
| 301
| | X2ts_45
| 38595
| redwood
| 75
| 2009-11-14
| 114474
| 171505
| 2
| 1000mb
| Gaussian 03
| Exotic
| 2nd
| 57
| 57
| 301
| | D1SSDiPepTight
| 22494
| mimosa
| -
| 2009-11-16
| 127544
| 93763
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 83
| 83
| 235
| | E1jj10
| 22503
| mimosa
| -
| 2009-11-19
| 505759
| 415856
| 2
| 819200kb
| Gaussian 03
| Empirical
| 1st
| 93
| 93
| 172
| | E1jj13
| 22501
| mimosa
| -
| 2009-11-20
| 540618
| 363085
| 2
| 819200kb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1jj11
| 22504
| mimosa
| -
| 2009-11-15
| 113252
| 95087
| 2
| 819200kb
| Gaussian 03
| Empirical
| 1st
| 93
| 93
| 172
| | E1jj14
| 22502
| mimosa
| -
| 2009-11-16
| 185277
| 163124
| 2
| 819200kb
| Gaussian 03
| Empirical
| 1st
| 93
| 93
| 172
| | E1jj01
| 10107
| sequoia
| 93
| 2009-11-18
| 61221
| 227571
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1jj06
| 10112
| sequoia
| 91
| 2009-11-18
| 28779
| 104887
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1jj09
| 10115
| sequoia
| 96
| 2009-11-19
| 123216
| 471849
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1jj05
| 10111
| sequoia
| 91
| 2009-11-18
| 27220
| 99499
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1jj02
| 10108
| sequoia
| 90
| 2009-11-18
| 27452
| 99349
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1jj03
| 10109
| sequoia
| 94
| 2009-11-18
| 84845
| 318789
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1jj04
| 10110
| sequoia
| 92
| 2009-11-18
| 27201
| 100064
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1jj08
| 10114
| sequoia
| 92
| 2009-11-18
| 30717
| 113205
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | E1jj07
| 10113
| sequoia
| 92
| 2009-11-18
| 28552
| 104769
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| -1
| -1
| -1
| | G65OPh8Me-n-no
| 38597
| redwood
| 86
| 2009-11-17
| 250438
| 433088
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 74
| 74
| 495
| | D1ts_H1
| 38600
| redwood
| 83
| 2009-11-13
| 24690
| 40986
| 2
| 1000mb
| Gaussian 03
| Density-Functional
| 1st
| 46
| 46
| 201
| | M6ts1_m062x
| 38599
| redwood
| 85
| 2009-11-14
| 20181
| 34467
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 32
| 32
| 136
| | D1ts_B1
| 38601
| redwood
| 76
| 2009-11-14
| 19315
| 29362
| 2
| 1000mb
| Gaussian 03
| Density-Functional
| 1st
| 46
| 46
| 201
| | J6ts1_mp2
| 38598
| redwood
| 73
| 2009-11-13
| 17603
| 25874
| 2
| 800mb
| Gaussian 09
| Many-body Perturbative
|
| 32
| 32
| 136
| | FMAg35F19
| 10122
| sequoia
| 100
| 2009-11-20
| 87344
| 349310
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | FMAg35hfocksbk
| 10117
| sequoia
| 100
| 2009-11-21
| 296956
| 1187811
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | FMAg35F17
| 10120
| sequoia
| 100
| 2009-11-22
| 296626
| 1186365
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | FMAg35F18
| 10121
| sequoia
| 100
| 2009-11-20
| 121795
| 487151
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | FMAg35F14
| 10118
| sequoia
| 100
| 2009-11-20
| 163089
| 652225
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | FMAg35F20
| 10123
| sequoia
| 100
| 2009-11-21
| 83028
| 332074
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | FMAg35F21
| 10124
| sequoia
| 100
| 2009-11-20
| 57235
| 228914
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | FMAg35F23
| 10125
| sequoia
| 100
| 2009-11-21
| 96307
| 385145
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | FMAg35F24
| 10126
| sequoia
| 100
| 2009-11-22
| 96386
| 385484
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | H1anion-pln1
| 22507
| mimosa
| -
| 2009-11-14
| 2980
| 2033
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| 1st
| 25
| 25
| 117
| | D1min15_2och3_
| 22508
| mimosa
| -
| 2009-11-16
| 182739
| 171028
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 620
| | M6ts1_m062x
| 38612
| redwood
| 86
| 2009-11-14
| 14985
| 25729
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 32
| 32
| 136
| | J6ts1_mp2
| 38613
| redwood
| 73
| 2009-11-14
| 13414
| 19526
| 2
| 800mb
| Gaussian 09
| Many-body Perturbative
|
| 32
| 32
| 136
| | M6ts1_m062xf
| 38614
| redwood
| 81
| 2009-11-14
| 3696
| 6011
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 32
| 32
| 136
| | H1lig1
| 38616
| redwood
| 80
| 2009-11-14
| 8987
| 14418
| 2
| 1600mb
| Gaussian 03
| Hartree-Fock
| 1st
| 51
| 51
| 243
| | P1anion-pln2
| 38617
| redwood
| 91
| 2009-11-21
| 593403
| 1078345
| 2
| 1600mb
| Gaussian 03
| Many-body Perturbative
| 1st
| 25
| 25
| 163
| | D1min12_ts_631
| 22509
| mimosa
| -
| 2009-11-14
| 7896
| 7288
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 542
| | D1min_m
| 22510
| mimosa
| -
| 2009-11-14
| 15093
| 10535
| 4
| 2457600kb
| Gaussian 03
| Density-Functional
| 1st
| 49
| 49
| 324
| | D1min_b_2oh_37
| 22511
| mimosa
| -
| 2009-11-14
| 3340
| 2652
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1PR5opt9H2AP
| 38619
| redwood
| 83
| 2009-11-20
| 317264
| 525630
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 35
| 730
| | D1min12_ts_631
| 22512
| mimosa
| -
| 2009-11-15
| 91892
| 84338
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 542
| | D1min_b_2oh_37
| 22513
| mimosa
| -
| 2009-11-14
| 1893
| 1545
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | DXlig1-1
| 38624
| redwood
| 91
| 2009-11-17
| 233432
| 425996
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| none
| 51
| 51
| 243
| | G65O8Me-n-DPZ
| 38626
| redwood
| 94
| 2009-11-16
| 38854
| 72777
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 58
| 58
| 388
| | J6ts1_mp2
| 38627
| redwood
| 73
| 2009-11-14
| 14696
| 21569
| 2
| 800mb
| Gaussian 09
| Many-body Perturbative
|
| 32
| 32
| 136
| | M6ts1_m062xuf
| 38628
| redwood
| 81
| 2009-11-15
| 25376
| 41019
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 32
| 32
| 136
| | G6all-S-ra-pro
| 38625
| redwood
| 97
| 2009-11-17
| 231994
| 450677
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 78
| 77
| 531
| | isoB_1v_1001DT
| 10136
| sequoia
| 100
| 2009-11-18
| 302484
| 2415856
| 8
| 15728640kb
|
| PSI
|
| -1
| -1
| -1
| | isoB_1v_0972
| 10134
| sequoia
| 100
| 2009-11-18
| 281550
| 2249630
| 8
| 15728640kb
|
| PSI
|
| -1
| -1
| -1
| | isoB_1v_1001
| 10135
| sequoia
| 100
| 2009-11-18
| 280826
| 2244213
| 8
| 15728640kb
|
| PSI
|
| -1
| -1
| -1
| | isoB_1v_0972DT
| 10133
| sequoia
| 100
| 2009-11-18
| 299648
| 2392426
| 8
| 15728640kb
|
| PSI
|
| -1
| -1
| -1
| | MMA-B97W-TDPC
| 10138
| sequoia
| 100
| 2009-11-20
| 9959
| 39779
| 4
| 3072mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | MMG-B97W-TDPC
| 10139
| sequoia
| 100
| 2009-11-20
| 18713
| 74795
| 4
| 3072mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | MMT-B97W-TDPC
| 10141
| sequoia
| 100
| 2009-11-20
| 6814
| 27220
| 4
| 3072mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | MMC-B97W-TDPC
| 10140
| sequoia
| 100
| 2009-11-20
| 5625
| 22463
| 4
| 3072mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | MMG-B97W-TDPC
| 38632
| redwood
| 81
| 2009-11-15
| 21167
| 68840
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 39
| 39
| 277
| | MMA-B97W-TDPC
| 38631
| redwood
| 82
| 2009-11-15
| 13374
| 43750
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 35
| 35
| 255
| | MMC-B97W-TDPC
| 38633
| redwood
| 70
| 2009-11-15
| 4689
| 13047
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 29
| 29
| 211
| | DXCQC2p
| 22514
| mimosa
| -
| 2009-11-15
| 5022
| 4549
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| 40
| 39
| 245
| | D2min2_373_1
| 22519
| mimosa
| -
| 2009-11-15
| 33107
| 31427
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| 2nd
| 77
| 77
| 542
| | D2min15_2oh_tr
| 22516
| mimosa
| -
| 2009-11-16
| 110390
| 109437
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 2nd
| 80
| 80
| 552
| | D1min_b_2och3
| 22515
| mimosa
| -
| 2009-11-15
| 20966
| 11988
| 4
| 2457600kb
| Gaussian 03
| Density-Functional
| 1st
| 44
| 44
| 324
| | D1min15_2och3_
| 22520
| mimosa
| -
| 2009-11-15
| 7769
| 7440
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 620
| | D2min15_tr_dms
| 22517
| mimosa
| -
| 2009-11-16
| 84965
| 82476
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 2nd
| 72
| 72
| 508
| | D1min9_scan_1
| 22521
| mimosa
| -
| 2009-11-15
| 6932
| 5622
| 4
| 2457600kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 343
| | J6cooch3_int2_
| 38635
| redwood
| 77
| 2009-11-20
| 427205
| 660266
| 2
| 800mb
| Gaussian 09
| Many-body Perturbative
|
| 86
| 86
| 398
| | J6cooch3_int2_
| 38636
| redwood
| 83
| 2009-11-21
| 514812
| 859540
| 2
| 800mb
| Gaussian 09
| Many-body Perturbative
|
| 86
| 86
| 398
| | M6int_88
| 38637
| redwood
| 77
| 2009-11-17
| 157028
| 240803
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 32
| 32
| 136
| | M6c2h4_o4_ppe
| 38638
| redwood
| 84
| 2009-11-17
| 46385
| 77678
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 24
| 24
| 98
| | D1min9_scan_1
| 22522
| mimosa
| -
| 2009-11-15
| 28057
| 20193
| 4
| 2457600kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 343
| | D1min15_2och3_
| 22523
| mimosa
| -
| 2009-11-15
| 20729
| 16663
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 620
| | DXCQC2
| 22524
| mimosa
| -
| 2009-11-15
| 1768
| 1153
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | MMATGC-M05-EAI
| 38641
| redwood
| 88
| 2009-11-15
| 5269
| 18593
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 68
| 67
| 495
| | MMT-B97W-TDPC
| 38639
| redwood
| 97
| 2009-11-15
| 9555
| 36910
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 33
| 33
| 240
| | MMATGC-M05-EAI
| 38640
| redwood
| 90
| 2009-11-15
| 5271
| 19059
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 68
| 67
| 495
| | X1dGpdGa_M5_PC
| 22525
| mimosa
| -
| 2009-11-15
| 4526
| 4483
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | DXmin15_2och3_
| 22526
| mimosa
| -
| 2009-11-15
| 18341
| 10186
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| none
| 88
| 88
| 620
| | DXCQC2
| 22527
| mimosa
| -
| 2009-11-15
| 2369
| 1746
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | GM8x6-6-311G2d
| 38647
| redwood
| 93
| 2009-11-17
| 150210
| 557563
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 336
| 336
| 1488
| | GM8x6-6-31pGd-
| 38646
| redwood
| 97
| 2009-11-19
| 310323
| 1198816
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 336
| 336
| 1056
| | GM8x6-6-31G2df
| 38649
| redwood
| 90
| 2009-11-17
| 199512
| 716840
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 336
| 336
| 1440
| | GM8x6-6-311Gd
| 38648
| redwood
| 87
| 2009-11-16
| 78061
| 271562
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 336
| 336
| 1248
| | GM8x6-6-31G2d
| 38650
| redwood
| 84
| 2009-11-17
| 60053
| 201424
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 336
| 336
| 1104
| | D1CQC_TS1
| 22528
| mimosa
| -
| 2009-11-15
| 3209
| 1682
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1min12_d_s_mi
| 22531
| mimosa
| -
| 2009-11-16
| 66456
| 62386
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 542
| | D2min12_ts_631
| 22529
| mimosa
| -
| 2009-11-16
| 48934
| 41601
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 2nd
| 77
| 77
| 542
| | D1CQC_TS1
| 22533
| mimosa
| -
| 2009-11-16
| 66329
| 29661
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 1st
| 40
| 39
| 245
| | D1min9_scan_1
| 22530
| mimosa
| -
| 2009-11-15
| 5493
| 2947
| 4
| 2457600kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 343
| | HXAg35F05
| 22537
| mimosa
| -
| 2009-11-15
| 34
| 29
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| -1
| -1
| -1
| | M6nnzz5C2V-M05
| 38652
| redwood
| 86
| 2009-11-19
| 304330
| 1045144
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 259
| 259
| 1330
| | M6nnzz2-UM05
| 38654
| redwood
| 88
| 2009-11-17
| 69164
| 244609
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 133
| 133
| 700
| | M6nnzz1-UM05
| 38653
| redwood
| 94
| 2009-11-16
| 22379
| 84017
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 91
| 91
| 490
| | M6nnzz3-UM05
| 38655
| redwood
| 96
| 2009-11-19
| 300143
| 1149390
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 175
| 175
| 910
| | X1Au10D4dRuTPS
| 22544
| mimosa
| -
| 2009-11-20
| 379307
| 233325
| 4
| 3686400kb
| Gaussian 03
| Exotic
| 1st
| 103
| 103
| 616
| | DXmin15_2oh_tr
| 22551
| mimosa
| -
| 2009-11-16
| 22060
| 13023
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| none
| 80
| 80
| 562
| | H1ch_a_opt
| 38660
| redwood
| 80
| 2009-11-18
| 202165
| 323514
| 2
| 1600mb
| Gaussian 03
| Hartree-Fock
| 1st
| 147
| 147
| 679
| | DXmin15_2oh_cc
| 22552
| mimosa
| -
| 2009-11-16
| 19891
| 19601
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| none
| 80
| 80
| 804
| | D1min_tms_1
| 22553
| mimosa
| -
| 2009-11-16
| 280
| 204
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1min_tms_2
| 22555
| mimosa
| -
| 2009-11-16
| 22895
| 20841
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 25
| 25
| 510
| | G4cooh_ts1_eth
| 10146
| sequoia
| 47
| 2009-11-21
| 62421
| 117044
| 4
| 3000mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | G4cooh_ts2_eth
| 10145
| sequoia
| 49
| 2009-11-21
| 75712
| 147249
| 4
| 3000mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | D1min12_n_para
| 22556
| mimosa
| -
| 2009-11-17
| 80322
| 69701
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 530
| | D1min12_n_meta
| 22557
| mimosa
| -
| 2009-11-17
| 75808
| 59966
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 530
| | D1min1_n_para
| 22558
| mimosa
| -
| 2009-11-18
| 208599
| 170054
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 530
| | X1Au10D4dwTPSS
| 22559
| mimosa
| -
| 2009-11-21
| 413760
| 412897
| 4
| 3686400kb
| Gaussian 03
| Exotic
| 1st
| 102
| 102
| 616
| | DXmin_tms_3
| 22560
| mimosa
| -
| 2009-11-16
| 9206
| 8847
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| none
| 25
| 25
| 510
| | D2min12_d_s_mi
| 22566
| mimosa
| -
| 2009-11-17
| 59734
| 56725
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 2nd
| 77
| 77
| 542
| | XXdTCdTr_M531
| 22569
| mimosa
| -
| 2009-11-16
| 11608
| 11485
| 4
| 2048000kb
| Gaussian 03
| Exotic
| none
| 131
| 131
| 770
| | D1min15_2oh_tr
| 22565
| mimosa
| -
| 2009-11-17
| 52783
| 47258
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 702
| | D1min1_n_meta
| 22568
| mimosa
| -
| 2009-11-16
| 33689
| 29301
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 530
| | G65OMe8Me-n-no
| 38667
| redwood
| 86
| 2009-11-17
| 90075
| 154438
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 58
| 58
| 388
| | G65Oimine-ra-n
| 38666
| redwood
| 86
| 2009-11-17
| 57933
| 99426
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 54
| 53
| 345
| | D1al2o39w
| 22574
| mimosa
| -
| 2009-11-20
| 340319
| 340094
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 1st
| 145
| 145
| 503
| | G65O8Me-n-noM-
| 38669
| redwood
| 83
| 2009-11-18
| 80602
| 133844
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 54
| 54
| 357
| | G65Me8OH-n-noM
| 38670
| redwood
| 84
| 2009-11-18
| 112799
| 189968
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 58
| 58
| 388
| | PXMP26-31+Gs
| 22577
| mimosa
| -
| 2009-11-16
| 5128
| 3101
| 2
| 1638400kb
| Gaussian 03
| Many-body Perturbative
| none
| 74
| 74
| 404
| | P1MP26-31+GsA
| 22578
| mimosa
| -
| 2009-11-16
| 649
| 630
| 2
| 1638400kb
| Gaussian 03
| Many-body Perturbative
| 1st
| 74
| 74
| 404
| | X1cis6-31+Gs
| 22576
| mimosa
| -
| 2009-11-16
| 1051
| 1021
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | I25
| 10158
| sequoia
| 80
| 2009-11-16
| 841
| 2684
| 4
| 3500mb
| Gaussian 03
| Configuration Interaction
| 2nd
| -1
| -1
| -1
| | X1cis6-31+Gs
| 22583
| mimosa
| -
| 2009-11-17
| 3211
| 1809
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 74
| 74
| 404
| | PXMP26-31+GsIP
| 22580
| mimosa
| -
| 2009-11-17
| 15472
| 8433
| 2
| 1638400kb
| Gaussian 03
| Many-body Perturbative
| none
| 74
| 73
| 404
| | PXMP26-31+GsEA
| 22579
| mimosa
| -
| 2009-11-16
| 16771
| 16440
| 2
| 1638400kb
| Gaussian 03
| Many-body Perturbative
| none
| 75
| 74
| 404
| | M6FBF_TM6
| 38672
| redwood
| 79
| 2009-11-18
| 163311
| 257800
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 122
| 120
| 758
| | XXg2c2h5cl
| 38675
| redwood
| 44
| 2009-11-16
| 848
| 752
| 2
| 800mb
| Gaussian 03
| Exotic
| none
| -1
| -1
| -1
| | D12a02
| 22586
| mimosa
| -
| 2009-11-18
| 154300
| 93078
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 128
| 128
| 685
| | X1dTCdTr_M531
| 22585
| mimosa
| -
| 2009-11-18
| 196002
| 177277
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 131
| 131
| 770
| | X1car5
| 22591
| mimosa
| -
| 2009-11-17
| 9208
| 7917
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 55
| 55
| 340
| | X1car1
| 22587
| mimosa
| -
| 2009-11-16
| 4655
| 3996
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 56
| 56
| 340
| | X1car4
| 22590
| mimosa
| -
| 2009-11-16
| 2009
| 1828
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 57
| 57
| 376
| | X1car2
| 22588
| mimosa
| -
| 2009-11-16
| 2371
| 2077
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 48
| 48
| 308
| | X1car6
| 22592
| mimosa
| -
| 2009-11-16
| 1290
| 1125
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 47
| 47
| 302
| | X1car3
| 22589
| mimosa
| -
| 2009-11-17
| 26970
| 22548
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 48
| 48
| 320
| | DXL1
| 10164
| sequoia
| 99
| 2009-11-22
| 4286
| 16963
| 4
| 3000mb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | D1min1_n_meta
| 22593
| mimosa
| -
| 2009-11-19
| 197619
| 136879
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 530
| | D1min_tms_4
| 22594
| mimosa
| -
| 2009-11-16
| 480
| 363
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1min1_cc
| 22595
| mimosa
| -
| 2009-11-17
| 49659
| 49302
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 788
| | D2min12_d_s_mi
| 22597
| mimosa
| -
| 2009-11-17
| 39098
| 37168
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| 2nd
| 77
| 77
| 542
| | D1min15_2oh_au
| 22598
| mimosa
| -
| 2009-11-17
| 38851
| 38624
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 1246
| | D1min15_2oh_tr
| 22596
| mimosa
| -
| 2009-11-17
| 7056
| 6811
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 702
| | D1min15_aug
| 22599
| mimosa
| -
| 2009-11-18
| 99696
| 99266
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 72
| 72
| 1154
| | M6int_88
| 38680
| redwood
| 84
| 2009-11-20
| 278305
| 465743
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 32
| 32
| 136
| | M6ts1_m062xuf
| 38681
| redwood
| 84
| 2009-11-17
| 31822
| 53449
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 32
| 32
| 136
| | D2min12_n_para
| 22604
| mimosa
| -
| 2009-11-17
| 25534
| 23762
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| 2nd
| 77
| 77
| 530
| | D1min12_n_meta
| 22603
| mimosa
| -
| 2009-11-17
| 28064
| 24175
| 4
| 3686400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 530
| | I25
| 10175
| sequoia
| 78
| 2009-11-17
| 1765
| 5521
| 4
| 3500mb
| Gaussian 03
| Configuration Interaction
| 2nd
| -1
| -1
| -1
| | I25
| 10176
| sequoia
| 79
| 2009-11-17
| 1536
| 4831
| 4
| 3500mb
| Gaussian 03
| Configuration Interaction
| 2nd
| -1
| -1
| -1
| | D1Opt11NR2APw
| 38689
| redwood
| 94
| 2009-11-22
| 293281
| 553658
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | I25
| 10177
| sequoia
| 86
| 2009-11-19
| 208049
| 718374
| 4
| 3500mb
| Gaussian 03
| Configuration Interaction
| 2nd
| -1
| -1
| -1
| | H1zzts-01a
| 38691
| redwood
| 71
| 2009-11-17
| 7230
| 10320
| 2
| 800mb
| Gaussian 03
| Hartree-Fock
| 1st
| 43
| 43
| 108
| | H1zzts-02a
| 38692
| redwood
| 76
| 2009-11-17
| 16532
| 25050
| 2
| 800mb
| Gaussian 03
| Hartree-Fock
| 1st
| 43
| 43
| 108
| | X1car2
| 22607
| mimosa
| -
| 2009-11-17
| 9692
| 7260
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 48
| 48
| 308
| | X1car1
| 22605
| mimosa
| -
| 2009-11-17
| 2496
| 2222
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | X1car4
| 22606
| mimosa
| -
| 2009-11-17
| 27700
| 24654
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 57
| 57
| 376
| | X1car8
| 22610
| mimosa
| -
| 2009-11-18
| 98494
| 84604
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 59
| 59
| 407
| | D1min15_2och3_
| 22613
| mimosa
| -
| 2009-11-20
| 244540
| 234746
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 392
| | D2min15_ts
| 22612
| mimosa
| -
| 2009-11-18
| 93949
| 76356
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 2nd
| 72
| 72
| 324
| | DX5-methylcyto
| 38696
| redwood
| 87
| 2009-11-17
| 92
| 160
| 2
| 800mb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | X2prod_34
| 38693
| redwood
| 73
| 2009-11-18
| 84466
| 123818
| 2
| 1000mb
| Gaussian 03
| Exotic
| 2nd
| 57
| 57
| 301
| | H1zzg2_mc1
| 38699
| redwood
| 71
| 2009-11-17
| 4633
| 6601
| 2
| 800mb
| Gaussian 03
| Hartree-Fock
| 1st
| 43
| 43
| 108
| | M6q5bb
| 38700
| redwood
| 76
| 2009-11-18
| 6206
| 18924
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 32
| 32
| 207
| | P1zzg2_ts1
| 38698
| redwood
| 71
| 2009-11-17
| 4662
| 6665
| 2
| 800mb
| Gaussian 03
| Many-body Perturbative
| 1st
| 43
| 43
| 108
| | M6q7bb
| 38701
| redwood
| 73
| 2009-11-18
| 16060
| 46729
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 41
| 41
| 264
| | D1B3TertLeuOpt
| 22614
| mimosa
| -
| 2009-11-18
| 2134
| 569
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 40
| 40
| 120
| | X1q2bb
| 22617
| mimosa
| -
| 2009-11-18
| 19527
| 12925
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 44
| 44
| 208
| | X1p6
| 22619
| mimosa
| -
| 2009-11-17
| 2125
| 1251
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 21
| 21
| 138
| | D1B3TertLeuSOp
| 22615
| mimosa
| -
| 2009-11-18
| 3324
| 1460
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 44
| 44
| 124
| | X1p4bb
| 22618
| mimosa
| -
| 2009-11-17
| 4168
| 1565
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 21
| 21
| 138
| | X1c3
| 22621
| mimosa
| -
| 2009-11-18
| 32722
| 21747
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 34
| 34
| 226
| | X1q1bb
| 22616
| mimosa
| -
| 2009-11-17
| 9811
| 2953
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 28
| 28
| 176
| | G65OH8Me-n-noM
| 38709
| redwood
| 88
| 2009-11-18
| 60803
| 107283
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 54
| 54
| 357
| | X1q6bb
| 38708
| redwood
| 88
| 2009-11-18
| 27703
| 48553
| 2
| 1600mb
| Gaussian 03
| Exotic
| 1st
| 36
| 36
| 238
| | X1q8bb
| 38706
| redwood
| 82
| 2009-11-18
| 69769
| 114832
| 2
| 1600mb
| Gaussian 03
| Exotic
| 1st
| 57
| 57
| 296
| | X1q10bb
| 38704
| redwood
| 83
| 2009-11-19
| 125172
| 207874
| 2
| 1600mb
| Gaussian 03
| Exotic
| 1st
| 54
| 54
| 352
| | X1q9bb
| 38707
| redwood
| 89
| 2009-11-18
| 72786
| 129902
| 2
| 1600mb
| Gaussian 03
| Exotic
| 1st
| 45
| 45
| 295
| | G65OHimine-n-n
| 38710
| redwood
| 87
| 2009-11-19
| 94624
| 164316
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 54
| 54
| 357
| | G65OMe8Me-n-no
| 38705
| redwood
| 91
| 2009-11-18
| 55632
| 101642
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 58
| 58
| 388
| | X1car1
| 22622
| mimosa
| -
| 2009-11-18
| 3924
| 3323
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 56
| 56
| 340
| | X1car6
| 22623
| mimosa
| -
| 2009-11-18
| 333
| 296
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | X1car7
| 22624
| mimosa
| -
| 2009-11-19
| 53016
| 47413
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 55
| 55
| 352
| | X1car10
| 22625
| mimosa
| -
| 2009-11-18
| 1776
| 1337
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 41
| 41
| 252
| | X2ts_45
| 38715
| redwood
| 80
| 2009-11-20
| 152078
| 244630
| 2
| 1000mb
| Gaussian 03
| Exotic
| 2nd
| 57
| 57
| 301
| | IXzzg2_ts1a
| 38711
| redwood
| 79
| 2009-11-19
| 20202
| 31905
| 2
| 800mb
| Gaussian 03
| Configuration Interaction
| none
| 43
| 43
| 162
| | D1ts_B1
| 38716
| redwood
| 81
| 2009-11-19
| 32431
| 52690
| 2
| 1000mb
| Gaussian 03
| Density-Functional
| 1st
| 46
| 46
| 201
| | H1zzg2_mc1a
| 38713
| redwood
| 72
| 2009-11-20
| 71223
| 102756
| 2
| 800mb
| Gaussian 03
| Hartree-Fock
| 1st
| 43
| 43
| 108
| | D1ts_H1
| 38717
| redwood
| 77
| 2009-11-19
| 14825
| 22876
| 2
| 1000mb
| Gaussian 03
| Density-Functional
| 1st
| 46
| 46
| 201
| | M6nnzz4-UM05
| 38720
| redwood
| 96
| 2009-11-19
| 111828
| 427389
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 217
| 217
| 1120
| | GMG-lcwPBE-TDP
| 38721
| redwood
| 97
| 2009-11-18
| 21033
| 82016
| 4
| 3584mb
| Gaussian 09
| Density-Functional
|
| 39
| 39
| 277
| | M6c1abb
| 38724
| redwood
| 88
| 2009-11-18
| 4868
| 17140
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 47
| 47
| 314
| | X1r2bb
| 22628
| mimosa
| -
| 2009-11-18
| 11610
| 9231
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 32
| 32
| 201
| | X1s3bb
| 22626
| mimosa
| -
| 2009-11-18
| 29965
| 19240
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 47
| 47
| 283
| | X1s5bb
| 22627
| mimosa
| -
| 2009-11-18
| 15327
| 14896
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 40
| 40
| 251
| | GM8x6-6-31G2df
| 38727
| redwood
| 94
| 2009-11-21
| 233847
| 875587
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 336
| 336
| 1440
| | GM8x6-ccpVDZ
| 38726
| redwood
| 88
| 2009-11-19
| 55982
| 197020
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 336
| 336
| 864
| | GM3x6-aug-cc-p
| 38728
| redwood
| 89
| 2009-11-19
| 16702
| 59611
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 126
| 126
| 486
| | M6c2h4_3_4
| 38729
| redwood
| 94
| 2009-11-18
| 1050
| 1977
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 24
| 24
| 98
| | IXzzg2_ts1b
| 22631
| mimosa
| -
| 2009-11-18
| 26245
| 16328
| 2
| 1843200kb
| Gaussian 03
| Configuration Interaction
| none
| 43
| 43
| 162
| | X1car4
| 22630
| mimosa
| -
| 2009-11-18
| 8245
| 3403
| 2
| 1228800kb
| Gaussian 03
| Exotic
| 1st
| 57
| 57
| 376
| | M4c2h4_3_4
| 38730
| redwood
| 83
| 2009-11-19
| 59607
| 98365
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 24
| 24
| 98
| | J4cooh_ts3_inv
| 10191
| sequoia
| 95
| 2009-11-18
| 13415
| 51008
| 4
| 14000mb
| Gaussian 09
| Many-body Perturbative
|
| -1
| -1
| -1
| | XXzzg2_cl
| 38736
| redwood
| 63
| 2009-11-19
| 20554
| 26029
| 2
| 800mb
| Gaussian 03
| Exotic
| none
| 35
| 34
| 89
| | D15-methylcyto
| 38734
| redwood
| 79
| 2009-11-19
| 44869
| 71333
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| 38
| 38
| 274
| | PXzzg2_ts2a
| 38735
| redwood
| 80
| 2009-11-19
| 24153
| 38466
| 2
| 800mb
| Gaussian 03
| Many-body Perturbative
| none
| 43
| 43
| 108
| | D15FUra_Final
| 22639
| mimosa
| -
| 2009-11-20
| 215511
| 146400
| 4
| 2867200kb
| Gaussian 03
| Density-Functional
| 1st
| 72
| 72
| 496
| | D2min12_n_para
| 22637
| mimosa
| -
| 2009-11-20
| 169303
| 151443
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 2nd
| 77
| 77
| 530
| | F6GGcatUHFB97D
| 22640
| mimosa
| -
| 2009-11-20
| 160281
| 158126
| 1
| 409600kb
| Gaussian 09
| Hartree-Fock
|
| 78
| 77
| 350
| | D15FUra_Initia
| 22638
| mimosa
| -
| 2009-11-20
| 215737
| 174167
| 4
| 2867200kb
| Gaussian 03
| Density-Functional
| 1st
| 72
| 72
| 496
| | G65O8Me-n-noM-
| 38738
| redwood
| 86
| 2009-11-19
| 43360
| 74586
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 54
| 54
| 357
| | G65Me8OH-n-noM
| 38737
| redwood
| 85
| 2009-11-19
| 59114
| 100993
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 58
| 58
| 388
| | DXCu-HGGGW-prp
| 22641
| mimosa
| -
| 2009-11-19
| 19052
| 17852
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 160
| 159
| 824
| | D1DexydroCyt_a
| 22642
| mimosa
| -
| 2009-11-19
| 50646
| 22106
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 1st
| 39
| 39
| 277
| | DXirmrdx2bmk
| 22654
| mimosa
| -
| 2009-11-19
| 86302
| 86239
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| none
| 394
| 394
| 1146
| | DXrdxb
| 22652
| mimosa
| -
| 2009-11-18
| 178
| 177
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | DXrdxbmk
| 22653
| mimosa
| -
| 2009-11-18
| 130
| 127
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | D1DexydroCyt_a
| 22644
| mimosa
| -
| 2009-11-19
| 57468
| 29426
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 1st
| 40
| 40
| 291
| | I25
| 10198
| sequoia
| 81
| 2009-11-19
| 86090
| 278227
| 4
| 3500mb
| Gaussian 03
| Configuration Interaction
| 2nd
| -1
| -1
| -1
| | DXtbrs
| 22655
| mimosa
| -
| 2009-11-18
| 2249
| 2176
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 226
| 226
| 737
| | DXtbrsd
| 22658
| mimosa
| -
| 2009-11-18
| 3688
| 3644
| 1
| 409600kb
| Gaussian 03
| Density-Functional
| none
| 226
| 226
| 737
| | GMtbrts2s
| 22661
| mimosa
| -
| 2009-11-18
| 23496
| 23143
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 226
| 226
| 737
| | GMtbr
| 22660
| mimosa
| -
| 2009-11-18
| 16410
| 16131
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 226
| 226
| 737
| | GMtbrpr2s
| 22662
| mimosa
| -
| 2009-11-18
| 19766
| 19491
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 226
| 226
| 737
| | DXirmrdx2bch
| 22663
| mimosa
| -
| 2009-11-19
| 85895
| 85829
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| none
| 394
| 394
| 1146
| | M6rdxbd
| 22664
| mimosa
| -
| 2009-11-19
| 57018
| 56825
| 1
| 153600kb
| Gaussian 09
| Exotic
|
| 57
| 57
| 147
| | D1wat_clu
| 22667
| mimosa
| -
| 2009-11-19
| 25166
| 10135
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 25
| 25
| 233
| | D2min1_n_para
| 22672
| mimosa
| -
| 2009-11-19
| 79180
| 76353
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 2nd
| 77
| 77
| 530
| | X1dTCdTra_M531
| 22669
| mimosa
| -
| 2009-11-22
| 317734
| 270683
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 132
| 131
| 770
| | GM3x6-ccpVDZ
| 38749
| redwood
| 81
| 2009-11-19
| 1774
| 5718
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 126
| 126
| 324
| | G6Al15P15-C3h
| 38747
| redwood
| 72
| 2009-11-19
| 11717
| 33869
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 210
| 210
| 570
| | H1zzg2_mc2
| 38746
| redwood
| 77
| 2009-11-19
| 13611
| 20955
| 2
| 800mb
| Gaussian 03
| Hartree-Fock
| 1st
| 35
| 34
| 89
| | GM8x6-6-31pGd-
| 38748
| redwood
| 88
| 2009-11-20
| 92689
| 326841
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 336
| 336
| 1056
| | J4cooh_ts3_inv
| 10205
| sequoia
| 96
| 2009-11-19
| 11375
| 43866
| 4
| 14000mb
| Gaussian 09
| Many-body Perturbative
|
| -1
| -1
| -1
| | D1min1_n_orto
| 22674
| mimosa
| -
| 2009-11-20
| 104373
| 88469
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 530
| | G6newref
| 38752
| redwood
| 87
| 2009-11-21
| 137291
| 478852
| 4
| 3500mb
| Gaussian 09
| Density-Functional
|
| 182
| 182
| 1840
| | M4q1s
| 22676
| mimosa
| -
| 2009-11-19
| 17978
| 17740
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 29
| 28
| 176
| | M4p3s
| 22675
| mimosa
| -
| 2009-11-19
| 14974
| 14745
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 22
| 21
| 144
| | M4q2s
| 38767
| redwood
| 81
| 2009-11-19
| 58
| 189
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | G65OH8Me-n-noM
| 38756
| redwood
| 94
| 2009-11-20
| 48635
| 91892
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 54
| 54
| 357
| | P1zzg2_ts2a
| 38761
| redwood
| 84
| 2009-11-19
| 37611
| 63364
| 2
| 800mb
| Gaussian 03
| Many-body Perturbative
| 1st
| 43
| 43
| 108
| | M4q3s
| 38766
| redwood
| 81
| 2009-11-19
| 3592
| 11701
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 61
| 60
| 240
| | M4q7s
| 38769
| redwood
| 75
| 2009-11-19
| 10526
| 31595
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 42
| 41
| 264
| | M4q9s
| 38768
| redwood
| 76
| 2009-11-19
| 15328
| 46565
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 46
| 45
| 295
| | D1wat_clu
| 22680
| mimosa
| -
| 2009-11-19
| 24209
| 9566
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 25
| 25
| 233
| | J4mp2
| 10227
| sequoia
| 99
| 2009-11-19
| 170
| 672
| 4
| 14000mb
| Gaussian 09
| Many-body Perturbative
|
| -1
| -1
| -1
| | M6DIM7
| 38774
| redwood
| 84
| 2009-11-22
| 99875
| 167543
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 42
| 42
| 300
| | D1Conf1
| 22694
| mimosa
| -
| 2009-11-20
| 34241
| 18836
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 1st
| 37
| 37
| 269
| | D1PP
| 22683
| mimosa
| -
| 2009-11-21
| 125740
| 81857
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 120
| 120
| 774
| | D1BT
| 22681
| mimosa
| -
| 2009-11-20
| 35962
| 18903
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 121
| 121
| 758
| | D1PT
| 22684
| mimosa
| -
| 2009-11-19
| 21218
| 12511
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 121
| 121
| 752
| | D1Bx
| 22682
| mimosa
| -
| 2009-11-19
| 10653
| 10132
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 117
| 117
| 750
| | D1TP-Ph
| 22688
| mimosa
| -
| 2009-11-20
| 42329
| 35294
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 161
| 161
| 1022
| | D1Px
| 22685
| mimosa
| -
| 2009-11-19
| 14007
| 9068
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 117
| 117
| 744
| | D1Conf2
| 22695
| mimosa
| -
| 2009-11-20
| 39585
| 24731
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 1st
| 37
| 37
| 269
| | J4mp2
| 10229
| sequoia
| 82
| 2009-11-22
| 251010
| 826815
| 4
| 14000mb
| Gaussian 09
| Many-body Perturbative
|
| -1
| -1
| -1
| | P1glu-pa-2-mp2
| 22696
| mimosa
| -
| 2009-11-19
| 280
| 257
| 2
| 1638400kb
| Gaussian 03
| Many-body Perturbative
| 1st
| -1
| -1
| -1
| | D2B3TertLeuFre
| 22697
| mimosa
| -
| 2009-11-19
| 837
| 462
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 2nd
| 40
| 40
| 120
| | P1MP2TertLeuOp
| 22699
| mimosa
| -
| 2009-11-19
| 2606
| 960
| 2
| 1843200kb
| Gaussian 03
| Many-body Perturbative
| 1st
| 40
| 40
| 120
| | M4p3sa
| 22700
| mimosa
| -
| 2009-11-20
| 59074
| 58218
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 21
| 21
| 144
| | M4q7sa
| 38777
| redwood
| 78
| 2009-11-20
| 41174
| 128443
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 41
| 41
| 264
| | M4q6s
| 38780
| redwood
| 83
| 2009-11-21
| 106160
| 176500
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| 37
| 36
| 238
| | M4q2sa
| 38776
| redwood
| 73
| 2009-11-19
| 8430
| 24683
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 44
| 44
| 208
| | M4q3sa1
| 38778
| redwood
| 78
| 2009-11-20
| 13643
| 42515
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 60
| 60
| 240
| | M4q5s
| 38779
| redwood
| 78
| 2009-11-20
| 89749
| 140056
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| 33
| 32
| 207
| | M4r11cp
| 22702
| mimosa
| -
| 2009-11-20
| 74399
| 73923
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 43
| 43
| 252
| | M4r7cp
| 22705
| mimosa
| -
| 2009-11-21
| 117416
| 116924
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 43
| 43
| 252
| | M4r10cp
| 22701
| mimosa
| -
| 2009-11-21
| 146809
| 146147
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 43
| 43
| 252
| | M4r6cp
| 22704
| mimosa
| -
| 2009-11-21
| 178805
| 177370
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 43
| 43
| 270
| | D1TP
| 22708
| mimosa
| -
| 2009-11-20
| 20497
| 18997
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 121
| 121
| 758
| | D1gold16
| 22719
| mimosa
| -
| 2009-11-20
| 25406
| 24364
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 152
| 152
| 352
| | GMk09lbs-09
| 22714
| mimosa
| -
| 2009-11-21
| 188171
| 187870
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 149
| 149
| 1154
| | D1gold20
| 22718
| mimosa
| -
| 2009-11-20
| 4168
| 3555
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 190
| 190
| 440
| | D1CQ_TS
| 22712
| mimosa
| -
| 2009-11-20
| 9568
| 3441
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 1st
| 40
| 39
| 228
| | D1Qx
| 22707
| mimosa
| -
| 2009-11-19
| 8844
| 7633
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 120
| 120
| 780
| | DXjj10cos
| 22710
| mimosa
| -
| 2009-11-21
| 123875
| 120785
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| none
| 128
| 128
| 685
| | D1gold10
| 22720
| mimosa
| -
| 2009-11-20
| 6332
| 4802
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 95
| 95
| 220
| | D1gold4
| 22721
| mimosa
| -
| 2009-11-20
| 10
| 6
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1TQ
| 22724
| mimosa
| -
| 2009-11-21
| 34192
| 29416
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 134
| 134
| 830
| | D1TQ-T
| 22725
| mimosa
| -
| 2009-11-20
| 15564
| 13817
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 135
| 133
| 830
| | D1wat_clu
| 22729
| mimosa
| -
| 2009-11-20
| 26154
| 10005
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 25
| 25
| 233
| | GMban2na
| 38782
| redwood
| 94
| 2009-11-20
| 4937
| 9321
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 57
| 57
| 367
| | D1TP-Ph-T
| 22730
| mimosa
| -
| 2009-11-20
| 14611
| 13896
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 162
| 160
| 1022
| | D1min12_n_orto
| 22731
| mimosa
| -
| 2009-11-20
| 42805
| 41789
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 530
| | M4q1sa
| 22732
| mimosa
| -
| 2009-11-21
| 80650
| 79599
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 28
| 28
| 176
| | M4q9sa
| 38788
| redwood
| 76
| 2009-11-20
| 65304
| 197861
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 45
| 45
| 295
| | M4c1s
| 38789
| redwood
| 78
| 2009-11-20
| 62177
| 194945
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 48
| 47
| 314
| | D1Conf1_180gra
| 22733
| mimosa
| -
| 2009-11-20
| 33759
| 17898
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 1st
| 37
| 37
| 269
| | H1anion-pyrs1
| 22735
| mimosa
| -
| 2009-11-20
| 4053
| 2719
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| 1st
| 25
| 25
| 117
| | GM3x6-6-31pGd
| 38794
| redwood
| 79
| 2009-11-22
| 3896
| 12239
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 126
| 126
| 396
| | M4c2s
| 38797
| redwood
| 76
| 2009-11-20
| 23408
| 71490
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 35
| 34
| 226
| | GM3x6-6-31G2d
| 38793
| redwood
| 97
| 2009-11-21
| 1065
| 4140
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 126
| 126
| 414
| | GM3x6-6-31G2df
| 38791
| redwood
| 90
| 2009-11-21
| 13109
| 47279
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 126
| 126
| 540
| | GM3x6-6-31G2df
| 38792
| redwood
| 97
| 2009-11-22
| 11909
| 46108
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 126
| 126
| 540
| | D1gold8
| 22740
| mimosa
| -
| 2009-11-20
| 22296
| 8827
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 76
| 76
| 176
| | D1gold6
| 22741
| mimosa
| -
| 2009-11-20
| 6809
| 6129
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 57
| 57
| 132
| | D1TP-T
| 22736
| mimosa
| -
| 2009-11-20
| 5485
| 5233
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 122
| 120
| 758
| | D1gold10
| 22739
| mimosa
| -
| 2009-11-21
| 134247
| 122983
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 95
| 95
| 220
| | D1gold16
| 22745
| mimosa
| -
| 2009-11-22
| 147574
| 146157
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 152
| 152
| 352
| | DXPR5opt9H2APw
| 38799
| redwood
| 99
| 2009-11-20
| 13359
| 26339
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| none
| 35
| 35
| 730
| | D1solv1
| 22747
| mimosa
| -
| 2009-11-20
| 1885
| 1039
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1Qx-T
| 22751
| mimosa
| -
| 2009-11-20
| 4764
| 4544
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 121
| 119
| 780
| | P1EN1acidmp2bi
| 22750
| mimosa
| -
| 2009-11-20
| 4531
| 3564
| 2
| 1638400kb
| Gaussian 03
| Many-body Perturbative
| 1st
| 31
| 31
| 197
| | M4r2cp
| 22746
| mimosa
| -
| 2009-11-20
| 43057
| 42747
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 32
| 32
| 201
| | D2CQ_TSF
| 22749
| mimosa
| -
| 2009-11-20
| 1410
| 729
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 2nd
| 40
| 39
| 228
| | P1ENmpa1
| 22748
| mimosa
| -
| 2009-11-20
| 5011
| 1630
| 2
| 1638400kb
| Gaussian 03
| Many-body Perturbative
| 1st
| 31
| 31
| 78
| | M4c3s
| 38800
| redwood
| 74
| 2009-11-20
| 21851
| 64983
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 35
| 34
| 226
| | X1car8
| 22755
| mimosa
| -
| 2009-11-20
| 2864
| 2599
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 59
| 59
| 407
| | X1car7
| 22754
| mimosa
| -
| 2009-11-22
| 157666
| 126278
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 55
| 55
| 352
| | X1car11
| 22757
| mimosa
| -
| 2009-11-20
| 2609
| 1742
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 47
| 47
| 302
| | D1car1
| 22752
| mimosa
| -
| 2009-11-20
| 7649
| 5769
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 56
| 56
| 156
| | X1car10
| 22756
| mimosa
| -
| 2009-11-20
| 2127
| 1369
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 41
| 41
| 252
| | STDIN
| 10247
| sequoia
| 1
| 2009-11-20
| 19922
| 881
| 8
| 12288000kb
| Amber
| Sander
|
| -1
| -1
| -1
| | G6ZnP-SMD
| 38806
| redwood
| 85
| 2009-11-20
| 283
| 962
| 4
| 3584mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | X2r9cp
| 22758
| mimosa
| -
| 2009-11-21
| 83427
| 82189
| 1
| 409600kb
| Gaussian 03
| Exotic
| 2nd
| 39
| 39
| 239
| | M4c6s
| 38807
| redwood
| 75
| 2009-11-21
| 25632
| 76391
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 35
| 34
| 226
| | D1gold4
| 22759
| mimosa
| -
| 2009-11-20
| 1175
| 866
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 38
| 38
| 88
| | X1car8
| 22762
| mimosa
| -
| 2009-11-20
| 6097
| 2931
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 59
| 59
| 407
| | D1Px-T
| 22761
| mimosa
| -
| 2009-11-21
| 87095
| 33072
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 118
| 116
| 744
| | D1PT-T
| 22766
| mimosa
| -
| 2009-11-20
| 7171
| 6854
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 122
| 120
| 752
| | X1car1
| 22760
| mimosa
| -
| 2009-11-20
| 2491
| 2220
| 2
| 1228800kb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | D1CQ_DZP_TS
| 22767
| mimosa
| -
| 2009-11-20
| 2727
| 2226
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 1st
| 40
| 39
| 245
| | FMAg12HHfSbkjc
| 38812
| redwood
| 95
| 2009-11-21
| 11871
| 22641
| 2
| 1600mb
| Gaussian 09
| Hartree-Fock
|
| 114
| 114
| 372
| | FMAg18HHfSbkjc
| 38814
| redwood
| 94
| 2009-11-22
| 37241
| 69985
| 2
| 1600mb
| Gaussian 09
| Hartree-Fock
|
| 171
| 171
| 558
| | D1PP-T
| 22771
| mimosa
| -
| 2009-11-21
| 4889
| 4701
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 121
| 119
| 774
| | HXAg30HHfSbkj
| 22770
| mimosa
| -
| 2009-11-22
| 110133
| 106449
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 285
| 285
| 930
| | HXAg12HHfSbk
| 22768
| mimosa
| -
| 2009-11-21
| 12934
| 12474
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 114
| 114
| 372
| | HXAg18HHfSbkj
| 22769
| mimosa
| -
| 2009-11-21
| 23730
| 23410
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 171
| 171
| 558
| | D1BT-T
| 22774
| mimosa
| -
| 2009-11-21
| 5729
| 5493
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 118
| 116
| 750
| | D1Bx-T
| 22773
| mimosa
| -
| 2009-11-21
| 4769
| 4587
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 118
| 116
| 750
| | D2CQ_DZP_TS
| 22777
| mimosa
| -
| 2009-11-21
| 2128
| 1974
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 2nd
| 40
| 39
| 245
| | D1AmCyt_Conf1
| 22775
| mimosa
| -
| 2009-11-21
| 20743
| 10790
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 1st
| 33
| 33
| 240
| | D1HydroxyCyt_C
| 22778
| mimosa
| -
| 2009-11-21
| 20040
| 9064
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 1st
| 33
| 33
| 233
| | PXTS_F5Ura_SP
| 22779
| mimosa
| -
| 2009-11-21
| 62376
| 39201
| 4
| 2048000kb
| Gaussian 03
| Many-body Perturbative
| none
| 72
| 72
| 776
| | M4s5cp
| 38818
| redwood
| 76
| 2009-11-21
| 34827
| 53025
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| 40
| 40
| 251
| | M4q8s
| 38817
| redwood
| 81
| 2009-11-21
| 72523
| 234634
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 58
| 57
| 296
| | M4q10s
| 38816
| redwood
| 81
| 2009-11-22
| 111261
| 361373
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 55
| 54
| 352
| | D1wat_clu_1
| 22785
| mimosa
| -
| 2009-11-21
| 29846
| 11451
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 33
| 33
| 213
| | D1HydroxyCyt_C
| 22790
| mimosa
| -
| 2009-11-21
| 27140
| 10111
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 1st
| 33
| 33
| 233
| | D1Conf1_TS
| 22789
| mimosa
| -
| 2009-11-21
| 45567
| 21189
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 1st
| 37
| 37
| 269
| | G4endprc1
| 22792
| mimosa
| -
| 2009-11-22
| 68994
| 68104
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 108
| 108
| 472
| | G4endpr1pds
| 22791
| mimosa
| -
| 2009-11-22
| 69031
| 68084
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 108
| 108
| 472
| | D2cytosinef
| 22794
| mimosa
| -
| 2009-11-21
| 278
| 160
| 2
| 204800kb
| Gaussian 03
| Density-Functional
| 2nd
| -1
| -1
| -1
| | D1PP
| 22797
| mimosa
| -
| 2009-11-21
| 37542
| 24680
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 120
| 120
| 774
| | D1solv2
| 22802
| mimosa
| -
| 2009-11-21
| 13206
| 9224
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 23
| 23
| 35
| | DXBx3
| 22800
| mimosa
| -
| 2009-11-21
| 5249
| 5060
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 118
| 116
| 750
| | D1PP-T
| 22796
| mimosa
| -
| 2009-11-21
| 5125
| 4901
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 121
| 119
| 774
| | DXBT_T1
| 22799
| mimosa
| -
| 2009-11-21
| 1051
| 1008
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 117
| 117
| 750
| | D1CQ_DZP_TS2
| 22795
| mimosa
| -
| 2009-11-22
| 73906
| 35695
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 1st
| 40
| 39
| 245
| | M6p3dfta
| 38825
| redwood
| 63
| 2009-11-21
| 2647
| 6691
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 21
| 21
| 144
| | M6r2dfta
| 38826
| redwood
| 67
| 2009-11-21
| 15988
| 42980
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 32
| 32
| 201
| | M6q1dfta
| 38824
| redwood
| 65
| 2009-11-21
| 6785
| 17637
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 28
| 28
| 176
| | D1solv11
| 22808
| mimosa
| -
| 2009-11-22
| 17002
| 14983
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 37
| 37
| 174
| | DXTQ-T1
| 22807
| mimosa
| -
| 2009-11-21
| 2612
| 2536
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 134
| 134
| 830
| | DXPP3
| 22811
| mimosa
| -
| 2009-11-21
| 8012
| 7641
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 121
| 119
| 774
| | DXBx-T1
| 22812
| mimosa
| -
| 2009-11-21
| 2126
| 2035
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 117
| 117
| 750
| | DXBT3
| 22810
| mimosa
| -
| 2009-11-21
| 16291
| 15544
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 122
| 120
| 758
| | DXPP-T1
| 22813
| mimosa
| -
| 2009-11-21
| 2847
| 2743
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 120
| 120
| 774
| | DXTP-T1
| 22816
| mimosa
| -
| 2009-11-21
| 2496
| 2327
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | DXTQ3
| 22818
| mimosa
| -
| 2009-11-21
| 3693
| 3510
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 135
| 133
| 830
| | DXTP-Ph-T1
| 22817
| mimosa
| -
| 2009-11-22
| 38487
| 36175
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 161
| 161
| 1022
| | DXTP3
| 22814
| mimosa
| -
| 2009-11-22
| 13417
| 12837
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 122
| 120
| 758
| | DXTQ3
| 22821
| mimosa
| -
| 2009-11-22
| 1405
| 1320
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | D1PP
| 22819
| mimosa
| -
| 2009-11-22
| 8730
| 4746
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 120
| 120
| 774
| | DXTP-Ph3
| 22820
| mimosa
| -
| 2009-11-22
| 1408
| 1289
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | D2TS_A-C_A_imi
| 22827
| mimosa
| -
| 2009-11-22
| 22057
| 18799
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 2nd
| 64
| 64
| 466
| | D2TS_G
| 22830
| mimosa
| -
| 2009-11-22
| 3107
| 2614
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 2nd
| -1
| -1
| -1
| | D2TS_wobbleG-T
| 22829
| mimosa
| -
| 2009-11-22
| 35660
| 34687
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 2nd
| 72
| 72
| 517
| | D2TS_wobbleG-T
| 22828
| mimosa
| -
| 2009-11-22
| 35736
| 26312
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 2nd
| 72
| 72
| 517
| | PXnittetrmp2
| 38855
| redwood
| 84
| 2009-11-22
| 7735
| 13064
| 2
| 1600mb
| Gaussian 03
| Many-body Perturbative
| none
| 91
| 91
| 509
| | PXtolimidmp2s
| 38858
| redwood
| 90
| 2009-11-22
| 8363
| 15040
| 2
| 1600mb
| Gaussian 03
| Many-body Perturbative
| none
| 71
| 71
| 410
| | PXtolimidmp2
| 38856
| redwood
| 95
| 2009-11-22
| 8996
| 17055
| 2
| 1600mb
| Gaussian 03
| Many-body Perturbative
| none
| 71
| 71
| 410
| | PXtoltetrmp2
| 38857
| redwood
| 89
| 2009-11-22
| 3157
| 5598
| 2
| 1600mb
| Gaussian 03
| Many-body Perturbative
| none
| 84
| 84
| 477
| | D2CQ_DZP_TS2F
| 22836
| mimosa
| -
| 2009-11-22
| 1769
| 1673
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 2nd
| -1
| -1
| -1
| | D1CQ_DZP_TS1
| 22838
| mimosa
| -
| 2009-11-22
| 3330
| 1215
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | DXQx-T1
| 22842
| mimosa
| -
| 2009-11-22
| 1051
| 970
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | DXPT-T1
| 22843
| mimosa
| -
| 2009-11-22
| 1046
| 959
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | DXBT3
| 22846
| mimosa
| -
| 2009-11-22
| 3566
| 3430
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 122
| 120
| 758
| | DXTQ3
| 22844
| mimosa
| -
| 2009-11-22
| 8129
| 7678
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 135
| 133
| 830
| | DXTP-T1
| 22845
| mimosa
| -
| 2009-11-22
| 934
| 879
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | DXTP-Ph3
| 22849
| mimosa
| -
| 2009-11-22
| 3692
| 3461
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 162
| 160
| 1022
| | DXTP-Ph-T1
| 22848
| mimosa
| -
| 2009-11-22
| 7415
| 7080
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 161
| 161
| 1022
| | DXPx-T1
| 22851
| mimosa
| -
| 2009-11-22
| 97
| 73
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
|
|
