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Disk Usage | Queues | Current Jobs | Job History | Info | Accounts
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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 250 jobs finished at MCSR. View last 100 | 500 | 1000 jobs.
|
| Job Name |
Job ID |
System |
Efcy |
End |
WT |
CT |
CU |
RM |
App |
Theoretical Method |
OD |
alpha |
beta |
basis |
| 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
| -1
| -1
| | DXTP3
| 22850
| mimosa
| -
| 2009-11-22
| 3692
| 3464
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 122
| 120
| 758
| | DXPx3
| 22855
| mimosa
| -
| 2009-11-22
| 341
| 293
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | DXBT3
| 22854
| mimosa
| -
| 2009-11-22
| 410
| 359
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | DXTQ3
| 22856
| mimosa
| -
| 2009-11-22
| 3329
| 3177
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | DXTP-Ph3
| 22858
| mimosa
| -
| 2009-11-22
| 1777
| 1632
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | DXBT3
| 22861
| mimosa
| -
| 2009-11-22
| 1057
| 986
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | DXPx3
| 22860
| mimosa
| -
| 2009-11-22
| 1050
| 974
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
|
|
