|
|
Login to use MyMCSR...
Disk Usage | Queues | Current Jobs | Job History | Info | Accounts
|Grants
-------------------------------------------------------------------------------------------------
My Students...
Disk Usage | Queues | Current Jobs | Job History | Info | Accounts
-------------------------------------------------------------------------------------------------
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 500 jobs finished at MCSR. View last 100 | 250 | 1000 jobs.
|
| Job Name |
Job ID |
System |
Efcy |
End |
WT |
CT |
CU |
RM |
App |
Theoretical Method |
OD |
alpha |
beta |
basis |
| 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
| | 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
| | 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
| | 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
|
|
