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Disk Usage | Queues | Current Jobs | Job History | Info | Accounts
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Disk Usage | Queues | Current Jobs | Job History | Info | Accounts
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System...
Disk Usage | Queues | Current Jobs | Job History | Documentation
Current 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.
|
|
|
|
Jobs currently running at MCSR. Queued jobs excluded.
|
| Job Name |
Job ID |
System |
Efcy |
Start |
WT |
CT |
CU |
RM |
App |
Theoretical Method |
OD |
alpha |
beta |
basis | | zmat.pbs
| 9
| redwood
| 7
| 2008-08-27
| 19340
| 1263
| 1
| 100mb
| Unknown
|
|
| -1
| -1
| -1
| | C1cpd3ccsdt
| 35646
| redwood
| 99
| 2009-07-27
| 1663043
| 1641543
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 25
| 25
| 161
| | C1cpd3cis3tz
| 35540
| redwood
| 99
| 2009-07-24
| 1663039
| 1638461
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | C1cpd4trans1tz
| 35837
| redwood
| 99
| 2009-08-03
| 1662989
| 1642055
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | C1cpd2cis1tz
| 36201
| redwood
| 99
| 2009-08-17
| 1663000
| 1640275
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | C1cpd5trans1tz
| 36686
| redwood
| 99
| 2009-09-11
| 1662998
| 1643553
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | D2Ag30ADFfreq
| 13288
| sweetgum
| 92
| 2009-09-14
| 1492089
| 5510982
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 2nd
| 285
| 285
| 660
| | D1H8LClodif
| 36957
| redwood
| 87
| 2009-09-21
| 1661164
| 2877278
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 175
| 175
| 1348
| | D2nDPQCOdftbig
| 37055
| redwood
| 79
| 2009-09-23
| 1661400
| 2627923
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 2nd
| 85
| 85
| 634
| | DXdGpdC_W8_ani
| 37309
| redwood
| 97
| 2009-09-30
| 440627
| 1718125
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| 331
| 330
| 2008
| | M6ATAT_w11_M6
| 37445
| redwood
| 85
| 2009-10-03
| 597119
| 2021110
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 345
| 345
| 1944
| | FMAg48HHfccD3d
| 37526
| redwood
| 98
| 2009-10-05
| 871799
| 3408063
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| 456
| 456
| 1824
| | M6dGpdC_W8_M6
| 37544
| redwood
| 82
| 2009-10-06
| 492976
| 1615487
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 330
| 330
| 1850
| | C2cpd1ccsdtf
| 37592
| redwood
| 97
| 2009-10-07
| 1663069
| 1616422
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 25
| 25
| 161
| | M6dCpdG_W8_M6
| 37611
| redwood
| 78
| 2009-10-08
| 492370
| 1527318
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 330
| 330
| 1850
| | M6dCpdG_redo_D
| 37633
| redwood
| 83
| 2009-10-08
| 587907
| 1947613
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 145
| 145
| 880
| | M6GCG_M6
| 37642
| redwood
| 97
| 2009-10-08
| 520681
| 2014299
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 230
| 230
| 1378
| | M6dCpdGa_redo_
| 37654
| redwood
| 81
| 2009-10-09
| 497347
| 1606986
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 146
| 145
| 880
| | X1dGpdGa_M5
| 20538
| mimosa
| -
| 2009-10-10
| 2443265
| 2216680
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | X1dGpdGPCM_M5
| 20540
| mimosa
| -
| 2009-10-10
| 2443273
| 2187432
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 155
| 155
| 937
| | X1dCpdGra_M5
| 20537
| mimosa
| -
| 2009-10-10
| 2443411
| 2162083
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 146
| 145
| 880
| | GMAg60HCamccD3
| 37686
| redwood
| 99
| 2009-10-10
| 1663176
| 6607938
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 570
| 570
| 2280
| | D1flc6
| 20628
| mimosa
| -
| 2009-10-12
| 2247710
| 1588350
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 155
| 154
| 991
| | D1nac8
| 20621
| mimosa
| -
| 2009-10-12
| 2254942
| 1659381
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 206
| 205
| 1319
| | D1nna+c8
| 20622
| mimosa
| -
| 2009-10-12
| 2254996
| 1493861
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 205
| 204
| 1315
| | D1lic8
| 20618
| mimosa
| -
| 2009-10-12
| 2255184
| 1671657
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 202
| 201
| 1315
| | X1dGpdGa_M5_DZ
| 20830
| mimosa
| -
| 2009-10-17
| 1878426
| 1416776
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | X1dGpadG_M5_PC
| 20840
| mimosa
| -
| 2009-10-17
| 1835162
| 1325553
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | X1dGpadG_M5_DZ
| 20839
| mimosa
| -
| 2009-10-17
| 1835209
| 996471
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | HXAg35F08
| 20858
| mimosa
| -
| 2009-10-17
| 1807588
| 1797595
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F05
| 20855
| mimosa
| -
| 2009-10-17
| 1807877
| 1796304
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F06
| 20856
| mimosa
| -
| 2009-10-17
| 1807767
| 1760400
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F07
| 20857
| mimosa
| -
| 2009-10-17
| 1807671
| 1793216
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | X1dGpdGa_M5_PC
| 20875
| mimosa
| -
| 2009-10-18
| 1733383
| 1286229
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | D2lifreqc6
| 20896
| mimosa
| -
| 2009-10-19
| 1671835
| 1596322
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 2nd
| 152
| 151
| 991
| | G6pyraclofos
| 37852
| redwood
| 78
| 2009-10-19
| 1272573
| 1977237
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 94
| 94
| 634
| | X2dTLdTa_M05x3
| 21006
| mimosa
| -
| 2009-10-22
| 1406972
| 1051140
| 2
| 819200kb
| Gaussian 03
| Exotic
| 2nd
| 144
| 143
| 805
| | HXAg35F10
| 21011
| mimosa
| -
| 2009-10-22
| 1404498
| 1390150
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F24
| 9525
| sequoia
| 100
| 2009-10-22
| 243411
| 973537
| 4
| 3200mb
| Gaussian 03
| Hartree-Fock
| none
| -1
| -1
| -1
| | HXAg35F25
| 9526
| sequoia
| 100
| 2009-10-22
| 211570
| 846169
| 4
| 3200mb
| Gaussian 03
| Hartree-Fock
| none
| -1
| -1
| -1
| | HXAg35F23
| 9524
| sequoia
| 100
| 2009-10-22
| 274190
| 1096574
| 4
| 3200mb
| Gaussian 03
| Hartree-Fock
| none
| -1
| -1
| -1
| | M6TTpAA_AM6_a
| 9603
| sequoia
| 100
| 2009-10-24
| 1106639
| 4424737
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6TA_ds_conM6
| 9612
| sequoia
| 100
| 2009-10-24
| 927347
| 3708010
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6AT_ds_dry_co
| 9595
| sequoia
| 100
| 2009-10-24
| 1182969
| 4730285
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGpdGa_PCM_D
| 9606
| sequoia
| 100
| 2009-10-24
| 1079344
| 4316414
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6AT_ds_dry_M6
| 9594
| sequoia
| 100
| 2009-10-24
| 1187277
| 4747333
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6GCGa_M6
| 9609
| sequoia
| 100
| 2009-10-24
| 1030780
| 4122405
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6GC_ds_AM6r
| 9608
| sequoia
| 100
| 2009-10-24
| 1050638
| 4201144
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGpdCa_W8_M6
| 9600
| sequoia
| 100
| 2009-10-24
| 1141175
| 4563496
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGpdCa_W8_rM
| 9601
| sequoia
| 100
| 2009-10-24
| 1129963
| 4518228
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6CG_dry_AM6
| 9607
| sequoia
| 100
| 2009-10-24
| 1074197
| 4295266
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | X1GGpCC_AM5
| 9614
| sequoia
| 100
| 2009-10-24
| 877725
| 3504569
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | M6CG_ds_31_w8_
| 9599
| sequoia
| 100
| 2009-10-24
| 1166154
| 4663082
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6GC_ds_31a_w8
| 9602
| sequoia
| 100
| 2009-10-24
| 1114701
| 4457462
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | X1TA_ds_conM5
| 9613
| sequoia
| 100
| 2009-10-24
| 879860
| 3511492
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | M6TTpAAa_AM6
| 9597
| sequoia
| 100
| 2009-10-24
| 1180529
| 4720418
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGpdGa_DZPM6
| 9605
| sequoia
| 100
| 2009-10-24
| 1080807
| 4322443
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6GGpCCa_M6
| 9611
| sequoia
| 100
| 2009-10-24
| 942696
| 3769508
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGapdG_PCM_D
| 9604
| sequoia
| 100
| 2009-10-24
| 1102170
| 4407632
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6GCG_M6
| 9610
| sequoia
| 100
| 2009-10-24
| 1028847
| 4114719
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6TTpAAa_M6
| 9598
| sequoia
| 100
| 2009-10-24
| 1167301
| 4667178
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | GMAg48HCamccD3
| 37979
| redwood
| 97
| 2009-10-24
| 1120610
| 4328414
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 456
| 456
| 1824
| | MMAg66HwB97Sb
| 37977
| redwood
| 99
| 2009-10-24
| 524422
| 2069847
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 627
| 627
| 2046
| | GMAg78Pb3sbD3
| 37978
| redwood
| 93
| 2009-10-24
| 521023
| 1931706
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 741
| 741
| 2418
| | X2dTLdTM5_TSF
| 21208
| mimosa
| -
| 2009-10-24
| 1199763
| 1110468
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 2nd
| 144
| 143
| 805
| | K6qc
| 38007
| redwood
| 35
| 2009-10-25
| 690521
| 977700
| 4
| 3500mb
| Gaussian 09
| Configuration Interaction
|
| 55
| 55
| 269
| | K45
| 38006
| redwood
| 40
| 2009-10-25
| 698342
| 1105965
| 4
| 3500mb
| Gaussian 09
| Configuration Interaction
|
| 59
| 59
| 293
| | C2cpd6atztight
| 38012
| redwood
| 99
| 2009-10-25
| 1144278
| 1128305
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 16
| 16
| 148
| | H1ttt_r
| 21262
| mimosa
| -
| 2009-10-25
| 1126494
| 981229
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| 1st
| -1
| -1
| -1
| | X1GCGa_M5X_DZP
| 9664
| sequoia
| 100
| 2009-10-26
| 737327
| 2947237
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | D2n4nefreqov
| 9669
| sequoia
| 99
| 2009-10-26
| 715111
| 2826981
| 4
| 3600mb
| Gaussian 03
| Density-Functional
| 2nd
| -1
| -1
| -1
| | H1inn_sdd
| 21338
| mimosa
| -
| 2009-10-27
| 989703
| 745158
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| 1st
| 480
| 480
| 1984
| | D2n4neovupfreq
| 9690
| sequoia
| 99
| 2009-10-27
| 540344
| 2139101
| 4
| 3600mb
| Gaussian 03
| Density-Functional
| 2nd
| -1
| -1
| -1
| | D2n4nefreqovup
| 38035
| redwood
| 92
| 2009-10-27
| 616947
| 2272930
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 205
| 205
| 1315
| | G6M10AGMG-DFT
| 38041
| redwood
| 83
| 2009-10-27
| 901164
| 3002537
| 4
| 3584mb
| Gaussian 09
| Density-Functional
|
| 281
| 281
| 1090
| | D2TS_A-C_taut
| 21383
| mimosa
| -
| 2009-10-28
| 908685
| 841916
| 4
| 2867200kb
| Gaussian 03
| Density-Functional
| 2nd
| 64
| 64
| 466
| | X1AA_TTa_M52X
| 21397
| mimosa
| -
| 2009-10-28
| 890703
| 715876
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 153
| 152
| 906
| | D1Reduced-swit
| 9717
| sequoia
| 100
| 2009-10-28
| 487288
| 1946413
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | HXAg35F04
| 21398
| mimosa
| -
| 2009-10-28
| 887340
| 878733
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | D1Opt-6NR2AP
| 38097
| redwood
| 93
| 2009-10-28
| 450306
| 841267
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | X1dTCdTa_M5
| 22103
| mimosa
| -
| 2009-11-06
| 115405
| 113818
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 132
| 131
| 770
| | D1EN5acid
| 21497
| mimosa
| -
| 2009-10-29
| 791530
| 74
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1Opt7NR-2AP
| 38139
| redwood
| 91
| 2009-10-31
| 339487
| 617747
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | C1cpd3trans1tz
| 38153
| redwood
| 98
| 2009-11-01
| 535303
| 525070
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | G6BB1B_b3
| 9807
| sequoia
| 100
| 2009-11-02
| 330085
| 1318556
| 4
| 3500mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | M6dGapdG_DZPM6
| 9766
| sequoia
| 100
| 2009-11-01
| 426433
| 1705258
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | HXAg35hfsbkj
| 21629
| mimosa
| -
| 2009-11-01
| 509022
| 483126
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 1085
| | HXAg35F15
| 9774
| sequoia
| 100
| 2009-11-01
| 12092
| 48297
| 4
| 3200mb
| Gaussian 03
| Hartree-Fock
| none
| -1
| -1
| -1
| | HXAg35F14
| 9773
| sequoia
| 100
| 2009-11-01
| 109730
| 438835
| 4
| 3200mb
| Gaussian 03
| Hartree-Fock
| none
| -1
| -1
| -1
| | GMAg56Camb3sbk
| 9772
| sequoia
| 100
| 2009-11-01
| 160441
| 641690
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | X1GCa1_opt
| 21632
| mimosa
| -
| 2009-11-01
| 500498
| 206861
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 77
| 76
| 483
| | DXk03lbs
| 9794
| sequoia
| 99
| 2009-11-02
| 402158
| 1595399
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | D1c78-hyperpol
| 38188
| redwood
| 45
| 2009-11-02
| 445884
| 397341
| 2
| 2048mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | M6BB1B_M6
| 38193
| redwood
| 87
| 2009-11-02
| 440201
| 1531613
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | HXAg35F09
| 21690
| mimosa
| -
| 2009-11-02
| 441611
| 435709
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F01
| 21689
| mimosa
| -
| 2009-11-02
| 441740
| 437050
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | DXk08-lbs
| 9801
| sequoia
| 99
| 2009-11-02
| 355404
| 1409133
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | DXk06lbs
| 9803
| sequoia
| 99
| 2009-11-02
| 352484
| 1397634
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | G6BB1B_bh
| 9806
| sequoia
| 100
| 2009-11-02
| 344938
| 1378365
| 4
| 3500mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | J6cooh_ish1_et
| 38244
| redwood
| 68
| 2009-11-03
| 372526
| 503903
| 2
| 800mb
| Gaussian 09
| Many-body Perturbative
|
| 89
| 89
| 409
| | M6BBB1_M6
| 38252
| redwood
| 92
| 2009-11-03
| 24648
| 90593
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | M6BBBr_M6
| 38247
| redwood
| 83
| 2009-11-03
| 378867
| 1258695
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | M6FBFBFBF_M6
| 38249
| redwood
| 77
| 2009-11-03
| 138745
| 426231
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 275
| 275
| 1686
| | X1dTLdTa_M05x3
| 21731
| mimosa
| -
| 2009-11-03
| 367293
| 283870
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | M6BBB_1M6
| 38271
| redwood
| 86
| 2009-11-03
| 357196
| 1223934
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | M6FBFBFBF_TM6
| 38274
| redwood
| 77
| 2009-11-03
| 125012
| 387012
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 276
| 274
| 1686
| | X1dTLdTa_QST2
| 21756
| mimosa
| -
| 2009-11-03
| 355237
| 173505
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | X1dTLdTa_M5_QS
| 21755
| mimosa
| -
| 2009-11-03
| 355815
| 216874
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | M6BB1B1_M6
| 9842
| sequoia
| 100
| 2009-11-03
| 246927
| 986614
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6BBB1_m6
| 9844
| sequoia
| 100
| 2009-11-03
| 221905
| 886863
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6BBB_M06
| 9843
| sequoia
| 100
| 2009-11-03
| 233350
| 932639
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | G65OPh8Me-n-di
| 21844
| mimosa
| -
| 2009-11-04
| 283719
| 283571
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 78
| 78
| 526
| | HXAg35F25
| 21783
| mimosa
| -
| 2009-11-03
| 331438
| 327467
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | D1PR2opt9H2AP
| 38292
| redwood
| 82
| 2009-11-03
| 305292
| 500341
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 35
| 730
| | M6BB1B_M6
| 9891
| sequoia
| 100
| 2009-11-03
| 201759
| 806224
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | P11aMP2
| 38296
| redwood
| 56
| 2009-11-04
| 56240
| 124966
| 4
| 3584mb
| Gaussian 03
| Many-body Perturbative
| 1st
| 188
| 188
| 558
| | P11bMP2
| 38295
| redwood
| 46
| 2009-11-04
| 287929
| 531204
| 4
| 3584mb
| Gaussian 03
| Many-body Perturbative
| 1st
| 188
| 188
| 558
| | D1k01-n
| 9911
| sequoia
| 97
| 2009-11-04
| 180574
| 699548
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1k17-n
| 9910
| sequoia
| 97
| 2009-11-04
| 182645
| 706858
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1k19-n
| 9912
| sequoia
| 97
| 2009-11-04
| 176710
| 683061
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | X1dTLdTa_M05x3
| 21847
| mimosa
| -
| 2009-11-04
| 282119
| 275755
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | D1k08-n
| 9914
| sequoia
| 96
| 2009-11-04
| 110043
| 423473
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1k02-n
| 9913
| sequoia
| 96
| 2009-11-04
| 162967
| 627428
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1Opt8NR-2AP
| 38299
| redwood
| 79
| 2009-11-04
| 189491
| 301086
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | X2ts_anionCC
| 38311
| redwood
| 89
| 2009-11-04
| 275170
| 487122
| 2
| 1000mb
| Gaussian 03
| Exotic
| 2nd
| 94
| 94
| 516
| | D12His-Ne-Pt-d
| 9930
| sequoia
| 100
| 2009-11-04
| 16064
| 64156
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1chlorfen
| 9928
| sequoia
| 97
| 2009-11-04
| 21953
| 85527
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D13_0F_Scan_Wa
| 21882
| mimosa
| -
| 2009-11-04
| 259409
| 233888
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 105
| 105
| 636
| | M6nnzz5-M05
| 38342
| redwood
| 91
| 2009-11-04
| 166601
| 603742
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 259
| 259
| 1330
| | M6nnzz4-M05
| 38338
| redwood
| 92
| 2009-11-04
| 199394
| 731849
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 217
| 217
| 1120
| | M6nnzz6-M05
| 38341
| redwood
| 93
| 2009-11-04
| 175248
| 653620
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 301
| 301
| 1540
| | anisoB_2DT2
| 9942
| sequoia
| 100
| 2009-11-05
| 194943
| 1556691
| 8
| 15728640kb
| Unknown
|
|
| -1
| -1
| -1
| | X1Cu-HGGGW-prp
| 22105
| mimosa
| -
| 2009-11-06
| 108228
| 100557
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 160
| 159
| 688
| | H1ppp
| 21921
| mimosa
| -
| 2009-11-05
| 231862
| 154158
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| 1st
| 480
| 480
| 1312
| | X1Cu-HGGGW-prp
| 22106
| mimosa
| -
| 2009-11-06
| 106891
| 75666
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 165
| 164
| 715
| | G6all-S-ra-dif
| 38353
| redwood
| 89
| 2009-11-05
| 195967
| 350462
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 78
| 77
| 525
| | G6all-R-ra-pro
| 38359
| redwood
| 87
| 2009-11-05
| 195527
| 338945
| 2
| 800mb
| Gaussian 09
| Density-Functional
|
| 78
| 77
| 531
| | D1B3LYP6-31+Gs
| 21947
| mimosa
| -
| 2009-11-05
| 185972
| 168749
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 75
| 74
| 404
| | D1B3LYP6-31+Gs
| 21948
| mimosa
| -
| 2009-11-05
| 185973
| 162385
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 74
| 73
| 404
| | P1MP2opt
| 22080
| mimosa
| -
| 2009-11-05
| 167610
| 163962
| 2
| 1638400kb
| Gaussian 03
| Many-body Perturbative
| 1st
| 74
| 74
| 404
| | anisoB_5_2
| 9961
| sequoia
| 100
| 2009-11-05
| 170652
| 1363159
| 8
| 15728640kb
| Unknown
|
|
| -1
| -1
| -1
| | anisoB_5DT2
| 9962
| sequoia
| 100
| 2009-11-05
| 37380
| 297748
| 8
| 15728640kb
| Unknown
|
|
| -1
| -1
| -1
| | X1dTCdTM5
| 22084
| mimosa
| -
| 2009-11-05
| 163771
| 161962
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 131
| 131
| 770
| | P1MP2opt
| 38382
| redwood
| 99
| 2009-11-05
| 160264
| 316004
| 2
| 1600mb
| Gaussian 03
| Many-body Perturbative
| 1st
| 74
| 74
| 404
| | D1chit_8d1
| 22089
| mimosa
| -
| 2009-11-05
| 150224
| 146835
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 698
| 698
| 3030
| | D1min12_s1_631
| 22102
| mimosa
| -
| 2009-11-06
| 118774
| 111201
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 536
| | X1bcc31n
| 22173
| mimosa
| -
| 2009-11-06
| 70225
| 70150
| 1
| 153600kb
| Gaussian 03
| Exotic
| 1st
| 177
| 177
| 906
| | C14568cco1
| 22104
| mimosa
| -
| 2009-11-06
| 111697
| 21952
| 2
| 819200kb
| Gaussian 03
| Coupled Cluster
| 1st
| 31
| 31
| 126
| | X1Cu-HGGGW-prp
| 22107
| mimosa
| -
| 2009-11-06
| 106769
| 99697
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 175
| 174
| 751
| | M6FBF_TM6
| 38394
| redwood
| 70
| 2009-11-06
| 94595
| 266027
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 122
| 120
| 758
| | M6bBB1B_M6
| 38390
| redwood
| 86
| 2009-11-06
| 103406
| 357141
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | M6bBB1B_bh
| 38392
| redwood
| 86
| 2009-11-06
| 94849
| 325863
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | D1min15_2oh_tr
| 22115
| mimosa
| -
| 2009-11-06
| 98003
| 92019
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 80
| 80
| 552
| | M6grp7_5-M05
| 38404
| redwood
| 77
| 2009-11-06
| 62475
| 192763
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 283
| 283
| 1480
| | M6grp7_6-M05
| 38405
| redwood
| 95
| 2009-11-06
| 60608
| 229415
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 323
| 322
| 1680
| | M6grp7_4-M05
| 38403
| redwood
| 79
| 2009-11-06
| 83511
| 264316
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 231
| 230
| 1210
| | HXAg35F03
| 22164
| mimosa
| -
| 2009-11-06
| 82174
| 80394
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F24
| 22165
| mimosa
| -
| 2009-11-06
| 82057
| 80426
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | D1al2o39w
| 22171
| mimosa
| -
| 2009-11-06
| 70534
| 70487
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 1st
| 145
| 145
| 503
| | X1bcc31
| 22174
| mimosa
| -
| 2009-11-06
| 69253
| 69196
| 1
| 153600kb
| Gaussian 03
| Exotic
| 1st
| 177
| 177
| 906
| | D1b3c3l
| 22175
| mimosa
| -
| 2009-11-06
| 70167
| 70071
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 1st
| 224
| 224
| 615
| | D1alodssw1
| 22172
| mimosa
| -
| 2009-11-06
| 70236
| 70197
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 1st
| 180
| 180
| 600
| | MMpp
| 9976
| sequoia
| 100
| 2009-11-06
| 22416
| 44818
| 2
| 800mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | G61csol
| 38410
| redwood
| 76
| 2009-11-06
| 32065
| 97940
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 86
| 86
| 470
| | G61bsol
| 38409
| redwood
| 89
| 2009-11-06
| 42462
| 150533
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 86
| 86
| 470
| | G61asol
| 38408
| redwood
| 86
| 2009-11-06
| 55285
| 190157
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 86
| 86
| 470
| | B6sd35
| 38411
| redwood
| 78
| 2009-11-06
| 25233
| 79119
| 4
| 3200mb
| Gaussian 09
| Empirical
|
| 84
| 84
| 152
| | D1min1_2och3_6
| 22176
| mimosa
| -
| 2009-11-07
| 54090
| 50591
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 93
| 93
| 648
| | D1min1_2oh_631
| 22177
| mimosa
| -
| 2009-11-07
| 53968
| 48584
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 85
| 85
| 580
| | D2min12_s1_dp
| 22179
| mimosa
| -
| 2009-11-07
| 34891
| 32149
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 2nd
| 77
| 77
| 452
| | D1min15_2och3_
| 22186
| mimosa
| -
| 2009-11-07
| 24810
| 23847
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 620
| | HXaaq_trans2
| 38422
| redwood
| 99
| 2009-11-07
| 6117
| 12167
| 2
| 1600mb
| Gaussian 03
| Hartree-Fock
| none
| 109
| 109
| 750
| | D1alodssw1n
| 22190
| mimosa
| -
| 2009-11-07
| 13175
| 13165
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 1st
| 180
| 180
| 600
| | D1min15_2och3_
| 22189
| mimosa
| -
| 2009-11-07
| 13891
| 13745
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 620
| | D2al4wf
| 38421
| redwood
| 90
| 2009-11-07
| 12334
| 22309
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 2nd
| 120
| 120
| 408
| | D2al4w73f
| 38419
| redwood
| 91
| 2009-11-07
| 12341
| 22359
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 2nd
| 120
| 120
| 408
| | D2t15ram
| 38418
| redwood
| 81
| 2009-11-07
| 12896
| 20768
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 2nd
| 168
| 168
| 630
| | D2al4w43f
| 38420
| redwood
| 83
| 2009-11-07
| 12337
| 20507
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 2nd
| 120
| 120
| 408
| | G6kish39-catio
| 38423
| redwood
| 93
| 2009-11-07
| 3146
| 5837
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
|
|
