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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 | | M6dGpdCa_W8_rM
| 10006
| sequoia
| 100
| 2009-11-08
| 1009592
| 4037070
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGpdCa_W8_M6
| 10005
| sequoia
| 100
| 2009-11-08
| 1012831
| 4050092
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6CG_ds_31_w8_
| 10002
| sequoia
| 100
| 2009-11-08
| 1028635
| 4113240
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6AT_ds_dry_co
| 10001
| sequoia
| 100
| 2009-11-08
| 1032649
| 4129259
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6AT_ds_dry_M6
| 10000
| sequoia
| 100
| 2009-11-08
| 1035407
| 4140134
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6BB1B_M6
| 10155
| sequoia
| 100
| 2009-11-16
| 104709
| 418496
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | DXPx3
| 22860
| mimosa
| -
| 2009-11-22
| 1050
| 974
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | M6TTpAAa_M6
| 9999
| sequoia
| 100
| 2009-11-08
| 1052450
| 4205455
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | DXBT3
| 22861
| mimosa
| -
| 2009-11-22
| 1057
| 986
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | D2H8L3NO3-mod-
| 38477
| redwood
| 76
| 2009-11-09
| 1106239
| 3344119
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 182
| 182
| 1406
| | X1dGpdGa_M5_DZ
| 22289
| mimosa
| -
| 2009-11-09
| 1114868
| 837073
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | C1cpd1trans1tz
| 38467
| redwood
| 99
| 2009-11-09
| 1135015
| 1125568
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | C1cpd2ccsdt
| 38462
| redwood
| 97
| 2009-11-09
| 1135020
| 1103061
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 25
| 25
| 161
| | D1as23b-cf3
| 22261
| mimosa
| -
| 2009-11-09
| 1138042
| 962042
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 245
| 245
| 985
| | D2H8LBrodiffrq
| 38460
| redwood
| 75
| 2009-11-09
| 1141085
| 3418684
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 184
| 184
| 1366
| | D2H8LIodifnfrq
| 38459
| redwood
| 76
| 2009-11-09
| 1141159
| 3488358
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 170
| 170
| 1326
| | MMAg66HwB97Sb
| 38267
| redwood
| 99
| 2009-11-03
| 1147634
| 4539108
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 627
| 627
| 2046
| | M6BB1B_TM6
| 9949
| sequoia
| 100
| 2009-11-05
| 1192841
| 4768206
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | FMAg60HHfccD3d
| 38287
| redwood
| 72
| 2009-11-03
| 1216776
| 3490091
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| 570
| 570
| 2280
| | G6ban2K
| 38795
| redwood
| 81
| 2009-11-20
| 125582
| 203068
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 61
| 61
| 371
| | X2dTLdTa1F_M05
| 10154
| sequoia
| 99
| 2009-11-16
| 125750
| 498835
| 4
| 3500mb
| Gaussian 03
| Exotic
| 2nd
| -1
| -1
| -1
| | D1min15_ts_dms
| 22788
| mimosa
| -
| 2009-11-21
| 126689
| 114158
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 72
| 72
| 508
| | X2dApdA_M5
| 22191
| mimosa
| -
| 2009-11-07
| 1280880
| 1137074
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 2nd
| 147
| 147
| 831
| | D1min15_2och3_
| 22787
| mimosa
| -
| 2009-11-21
| 130794
| 116210
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 620
| | G6band5caldft+
| 38785
| redwood
| 85
| 2009-11-20
| 134861
| 230612
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 130
| 130
| 860
| | D1min1_n_orto
| 22786
| mimosa
| -
| 2009-11-21
| 137168
| 117644
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 530
| | C14568cco1
| 22104
| mimosa
| -
| 2009-11-06
| 1407735
| 280199
| 2
| 819200kb
| Gaussian 03
| Coupled Cluster
| 1st
| 31
| 31
| 126
| | X1dGpadG_M5_PC
| 22839
| mimosa
| -
| 2009-11-22
| 14130
| 13995
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | D1min12_n_orto
| 22784
| mimosa
| -
| 2009-11-21
| 141452
| 119348
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 530
| | G6tylo_1
| 10152
| sequoia
| 100
| 2009-11-16
| 141559
| 565413
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | M4s3cp
| 22780
| mimosa
| -
| 2009-11-21
| 144586
| 142709
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 47
| 47
| 283
| | FMAg35F25
| 10127
| sequoia
| 100
| 2009-11-13
| 144602
| 578340
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | P1MP2opt
| 22080
| mimosa
| -
| 2009-11-05
| 1463710
| 1420174
| 2
| 1638400kb
| Gaussian 03
| Many-body Perturbative
| 1st
| 74
| 74
| 404
| | D2Ag30ADFfreq
| 13288
| sweetgum
| 92
| 2009-09-14
| 1492089
| 5510982
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 2nd
| 285
| 285
| 660
| | D1Opt12NR2APw
| 38750
| redwood
| 90
| 2009-11-19
| 149632
| 268539
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | MMbBB1B_TM6t
| 22776
| mimosa
| -
| 2009-11-20
| 150605
| 150493
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | M6nnzz6-M05
| 38804
| redwood
| 99
| 2009-11-20
| 158960
| 630014
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 301
| 301
| 1540
| | M6nnzz4-UM05
| 38802
| redwood
| 95
| 2009-11-20
| 177490
| 674187
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 217
| 217
| 1120
| | DXTP-Ph3
| 22858
| mimosa
| -
| 2009-11-22
| 1777
| 1632
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | C1cpd3trans1tz
| 38153
| redwood
| 98
| 2009-11-01
| 1831385
| 1798818
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | zmat.pbs
| 9
| redwood
| 7
| 2008-08-27
| 19340
| 1263
| 1
| 100mb
| Unknown
|
|
| -1
| -1
| -1
| | MMBBB_TM06t
| 38798
| redwood
| 100
| 2009-11-20
| 195667
| 389924
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | G6ban2h2
| 38790
| redwood
| 76
| 2009-11-20
| 199385
| 304066
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 53
| 53
| 354
| | M6BBB_M06
| 10143
| sequoia
| 100
| 2009-11-15
| 204750
| 818316
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | D1gold20
| 22738
| mimosa
| -
| 2009-11-20
| 207103
| 206189
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 190
| 190
| 440
| | D1EN5acid
| 21497
| mimosa
| -
| 2009-10-29
| 2087500
| 197
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | X1AA_TTa_M52X
| 21397
| mimosa
| -
| 2009-10-28
| 2186724
| 1715288
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 153
| 152
| 906
| | M4mc1s
| 38836
| redwood
| 81
| 2009-11-22
| 22212
| 72314
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 48
| 47
| 314
| | G6band5opt
| 38784
| redwood
| 87
| 2009-11-20
| 222737
| 386823
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 130
| 130
| 860
| | G6ban4h2
| 38783
| redwood
| 73
| 2009-11-20
| 224277
| 328839
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 105
| 105
| 698
| | D1Opt10NR2APw
| 38690
| redwood
| 80
| 2009-11-17
| 228538
| 365225
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | X1dTaLdTa_M5
| 22837
| mimosa
| -
| 2009-11-22
| 23008
| 22277
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | E1pes-oh
| 22717
| mimosa
| -
| 2009-11-19
| 243823
| 166586
| 2
| 819200kb
| Gaussian 03
| Empirical
| 1st
| 61
| 61
| 117
| | C2cpd6atztight
| 38012
| redwood
| 98
| 2009-10-25
| 2440360
| 2403598
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 16
| 16
| 148
| | D22a02
| 22716
| mimosa
| -
| 2009-11-19
| 246124
| 229331
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 2nd
| 128
| 128
| 685
| | D1jj14
| 22715
| mimosa
| -
| 2009-11-19
| 246227
| 146478
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 128
| 128
| 685
| | E1jj12
| 22713
| mimosa
| -
| 2009-11-19
| 246244
| 216075
| 2
| 819200kb
| Gaussian 03
| Empirical
| 1st
| 93
| 93
| 172
| | D1jj11
| 22711
| mimosa
| -
| 2009-11-19
| 252741
| 211846
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 128
| 128
| 685
| | M6bBB1B_M6
| 38753
| redwood
| 84
| 2009-11-19
| 261896
| 879207
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | X1dTLdTM5_TSR
| 10137
| sequoia
| 99
| 2009-11-14
| 264862
| 1054127
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | D1metis2_sf
| 22831
| mimosa
| -
| 2009-11-22
| 26725
| 25357
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 64
| 64
| 355
| | D1metis1_sf
| 22832
| mimosa
| -
| 2009-11-22
| 26729
| 25295
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 64
| 64
| 355
| | X2dTLdTa_M05x3
| 21006
| mimosa
| -
| 2009-10-22
| 2702947
| 2257008
| 2
| 819200kb
| Gaussian 03
| Exotic
| 2nd
| 144
| 143
| 805
| | K45
| 38671
| redwood
| 58
| 2009-11-16
| 272998
| 633698
| 4
| 3500mb
| Gaussian 09
| Configuration Interaction
|
| 59
| 59
| 293
| | X1dTLdTa_M05x3
| 22677
| mimosa
| -
| 2009-11-19
| 275917
| 256164
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | MMFBFBFBF_M6t
| 38754
| redwood
| 99
| 2009-11-19
| 280734
| 555256
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 275
| 275
| 1686
| | D1H8LClodif
| 38719
| redwood
| 96
| 2009-11-17
| 295236
| 565809
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 175
| 175
| 1348
| | C1cpd4trans1tz
| 35837
| redwood
| 99
| 2009-08-03
| 2959071
| 2919616
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | C1cpd5trans1tz
| 36686
| redwood
| 99
| 2009-09-11
| 2959080
| 2918262
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | C1cpd2cis1tz
| 36201
| redwood
| 98
| 2009-08-17
| 2959082
| 2913372
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | C1cpd3cis3tz
| 35540
| redwood
| 98
| 2009-07-24
| 2959121
| 2907345
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | C2cpd1ccsdtf
| 37592
| redwood
| 97
| 2009-10-07
| 2959151
| 2858819
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 25
| 25
| 161
| | C1cpd3ccsdt
| 38718
| redwood
| 98
| 2009-11-17
| 299978
| 293915
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 25
| 25
| 161
| | M6FBF_TM6
| 38741
| redwood
| 89
| 2009-11-18
| 301435
| 539447
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 122
| 120
| 758
| | M6BBB1_Tm6
| 10132
| sequoia
| 100
| 2009-11-14
| 306765
| 1226197
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | DXTP3
| 22857
| mimosa
| -
| 2009-11-22
| 3083
| 2928
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | X1dTLdTa_TS_M5
| 10128
| sequoia
| 100
| 2009-11-13
| 310232
| 1235121
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | D1chit_8d1
| 22673
| mimosa
| -
| 2009-11-19
| 316629
| 279691
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 698
| 698
| 3030
| | H1mol1_5
| 22671
| mimosa
| -
| 2009-11-19
| 316866
| 251710
| 2
| 1638400kb
| Gaussian 03
| Hartree-Fock
| 1st
| 349
| 349
| 1595
| | X1dTCdTra_M531
| 22669
| mimosa
| -
| 2009-11-19
| 317734
| 270683
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 132
| 131
| 770
| | X1dGpdGa_M5_PC
| 22668
| mimosa
| -
| 2009-11-18
| 321098
| 300403
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | DXTQ3
| 22856
| mimosa
| -
| 2009-11-22
| 3329
| 3177
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | FMAg35F16
| 10119
| sequoia
| 100
| 2009-11-13
| 346613
| 1386265
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | D1flc6
| 20628
| mimosa
| -
| 2009-10-12
| 3543608
| 2444223
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 155
| 154
| 991
| | M6irmrdx4b
| 22651
| mimosa
| -
| 2009-11-18
| 354921
| 354622
| 1
| 153600kb
| Gaussian 09
| Exotic
|
| 334
| 334
| 960
| | D1nac8
| 20621
| mimosa
| -
| 2009-10-12
| 3550974
| 2731391
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 206
| 205
| 1319
| | D1nna+c8
| 20622
| mimosa
| -
| 2009-10-12
| 3550994
| 2465488
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 205
| 204
| 1315
| | D1lic8
| 20618
| mimosa
| -
| 2009-10-12
| 3551192
| 2743253
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 202
| 201
| 1315
| | M6irmrdx3b
| 22650
| mimosa
| -
| 2009-11-18
| 355158
| 354850
| 1
| 153600kb
| Gaussian 09
| Exotic
|
| 334
| 334
| 960
| | M6irmrdx6b
| 22649
| mimosa
| -
| 2009-11-18
| 355664
| 355293
| 1
| 153600kb
| Gaussian 09
| Exotic
|
| 334
| 334
| 960
| | M6irmrdx2b
| 22648
| mimosa
| -
| 2009-11-18
| 355694
| 355305
| 1
| 153600kb
| Gaussian 09
| Exotic
|
| 394
| 394
| 1146
| | isoB_1_long
| 10196
| sequoia
| 100
| 2009-11-18
| 356671
| 2845447
| 8
| 15728640kb
|
| PSI
|
| -1
| -1
| -1
| | isoB_1_longDT
| 10195
| sequoia
| 100
| 2009-11-18
| 356703
| 2848427
| 8
| 15728640kb
|
| PSI
|
| -1
| -1
| -1
| | D2ts_elim
| 38714
| redwood
| 91
| 2009-11-17
| 359494
| 651679
| 2
| 1000mb
| Gaussian 03
| Density-Functional
| 2nd
| 33
| 33
| 644
| | D1Initial
| 22636
| mimosa
| -
| 2009-11-18
| 367567
| 321271
| 4
| 2867200kb
| Gaussian 03
| Density-Functional
| 1st
| 85
| 85
| 522
| | D1Final
| 22633
| mimosa
| -
| 2009-11-18
| 369012
| 326601
| 4
| 2867200kb
| Gaussian 03
| Density-Functional
| 1st
| 85
| 85
| 522
| | X1dTLdTM5_TSR1
| 22632
| mimosa
| -
| 2009-11-18
| 370423
| 253659
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | D1elim_r
| 38712
| redwood
| 68
| 2009-11-17
| 373831
| 505066
| 2
| 1000mb
| Gaussian 03
| Density-Functional
| 1st
| 33
| 33
| 644
| | X1dGpdGPCM_M5
| 20540
| mimosa
| -
| 2009-10-10
| 3739318
| 3447534
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 155
| 155
| 937
| | X1dCpdGra_M5
| 20537
| mimosa
| -
| 2009-10-10
| 3739490
| 3253449
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 146
| 145
| 880
| | X1Cu-PHGGGWGQ-
| 10178
| sequoia
| 99
| 2009-11-17
| 37437
| 148659
| 4
| 3200mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | FMAg35hfsbk
| 38684
| redwood
| 96
| 2009-11-17
| 376023
| 1451159
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| 333
| 332
| 1085
| | X1dTLdTa_M05x3
| 22611
| mimosa
| -
| 2009-11-17
| 439653
| 365928
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | J6cooch3_ish
| 10173
| sequoia
| 92
| 2009-11-17
| 44748
| 163936
| 4
| 3000mb
| Gaussian 09
| Many-body Perturbative
|
| -1
| -1
| -1
| | M6BB1B1_M6T
| 38351
| redwood
| 87
| 2009-11-05
| 458017
| 1600434
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 192
| 190
| 1146
| | M6dCpdG_W8_M6
| 38643
| redwood
| 75
| 2009-11-15
| 462571
| 1386065
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 330
| 330
| 1850
| | M6dGpdCa_W8_M6
| 38298
| redwood
| 88
| 2009-11-04
| 470580
| 1650865
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 331
| 330
| 1850
| | M6CpG_M6x
| 38216
| redwood
| 77
| 2009-11-02
| 477536
| 1472046
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 165
| 165
| 925
| | J6cooh_int1_et
| 10170
| sequoia
| 90
| 2009-11-17
| 47887
| 173267
| 4
| 3000mb
| Gaussian 09
| Many-body Perturbative
|
| -1
| -1
| -1
| | M4mr6s
| 22826
| mimosa
| -
| 2009-11-22
| 48844
| 48623
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 43
| 43
| 270
| | M6dCpdGa_W8_M6
| 38161
| redwood
| 85
| 2009-11-01
| 490284
| 1675206
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 331
| 330
| 1850
| | M4mr2s
| 22825
| mimosa
| -
| 2009-11-22
| 49212
| 48806
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 32
| 32
| 201
| | M4mq1s
| 22824
| mimosa
| -
| 2009-11-22
| 49764
| 49408
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 29
| 28
| 176
| | M4mp3s
| 22823
| mimosa
| -
| 2009-11-22
| 50652
| 50088
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 22
| 21
| 144
| | X1GCGa_M5X_DZP
| 10092
| sequoia
| 100
| 2009-11-13
| 512405
| 2047847
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | M6dGpdC_W8_Sym
| 37876
| redwood
| 86
| 2009-10-20
| 514850
| 1768385
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 330
| 330
| 1850
| | HXAg35hfsbkj
| 22584
| mimosa
| -
| 2009-11-16
| 521053
| 508888
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 1085
| | M6BBB_M6
| 38275
| redwood
| 82
| 2009-11-03
| 527160
| 1734954
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | X1bcc31n
| 22573
| mimosa
| -
| 2009-11-16
| 538440
| 537935
| 1
| 153600kb
| Gaussian 03
| Exotic
| 1st
| 177
| 177
| 906
| | X1bcc31
| 22572
| mimosa
| -
| 2009-11-16
| 538445
| 538067
| 1
| 153600kb
| Gaussian 03
| Exotic
| 1st
| 177
| 177
| 906
| | D1b3c3l
| 22571
| mimosa
| -
| 2009-11-16
| 538501
| 537753
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 1st
| 224
| 224
| 615
| | D1alodssw1
| 22570
| mimosa
| -
| 2009-11-16
| 538521
| 538174
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 1st
| 180
| 180
| 600
| | M6BBB_1M6
| 38668
| redwood
| 93
| 2009-11-16
| 539746
| 1000457
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | M6BBBr_M6
| 38665
| redwood
| 84
| 2009-11-16
| 540621
| 913130
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | MMBB1B1_M6t
| 38664
| redwood
| 99
| 2009-11-16
| 540705
| 1074452
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | MMFBFBFBF_tTM6
| 38663
| redwood
| 77
| 2009-11-16
| 541569
| 838540
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 275
| 275
| 1686
| | D1mepea_1
| 22564
| mimosa
| -
| 2009-11-16
| 543464
| 543227
| 1
| 409600kb
| Gaussian 03
| Density-Functional
| 1st
| 120
| 120
| 692
| | HXAg35F25
| 22561
| mimosa
| -
| 2009-11-16
| 545434
| 535402
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | P1GGneutoptMP2
| 22853
| mimosa
| -
| 2009-11-22
| 5491
| 5466
| 1
| 409600kb
| Gaussian 03
| Many-body Perturbative
| 1st
| 78
| 78
| 438
| | G6k08-09
| 10075
| sequoia
| 100
| 2009-11-11
| 552050
| 2207061
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | GMk14lbs-09
| 10073
| sequoia
| 100
| 2009-11-11
| 560337
| 2240543
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | G6k02-09
| 10072
| sequoia
| 100
| 2009-11-11
| 564460
| 2256550
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | G6k01-09
| 10071
| sequoia
| 100
| 2009-11-11
| 571842
| 2286257
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | X1dTLdTa_M05x3
| 22545
| mimosa
| -
| 2009-11-15
| 572801
| 436146
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | G6k07-09
| 38532
| redwood
| 67
| 2009-11-11
| 58039
| 154699
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 149
| 149
| 795
| | FMAg30HHfSbkjc
| 38829
| redwood
| 96
| 2009-11-21
| 58162
| 111708
| 2
| 1600mb
| Gaussian 09
| Hartree-Fock
|
| 285
| 285
| 930
| | X1Au10D4dMoTPS
| 22547
| mimosa
| -
| 2009-11-15
| 586483
| 584425
| 4
| 3686400kb
| Gaussian 03
| Exotic
| 1st
| 102
| 102
| 616
| | X1Au10D4dCoTPS
| 22546
| mimosa
| -
| 2009-11-15
| 587145
| 584875
| 4
| 3686400kb
| Gaussian 03
| Exotic
| 1st
| 109
| 108
| 624
| | X1GGpCC_AM5
| 10070
| sequoia
| 100
| 2009-11-11
| 589353
| 2352899
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | HXAg35F08
| 22541
| mimosa
| -
| 2009-11-15
| 590387
| 584683
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F07
| 22540
| mimosa
| -
| 2009-11-15
| 590757
| 585679
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F05
| 22539
| mimosa
| -
| 2009-11-15
| 593819
| 585060
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F06
| 22538
| mimosa
| -
| 2009-11-15
| 593870
| 583852
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F03
| 22536
| mimosa
| -
| 2009-11-15
| 594135
| 584879
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F02
| 22535
| mimosa
| -
| 2009-11-15
| 594743
| 586100
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F01
| 22534
| mimosa
| -
| 2009-11-15
| 594965
| 574864
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | M6GpC_M6_DZP
| 38212
| redwood
| 78
| 2009-11-02
| 604587
| 1875641
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 145
| 145
| 880
| | MMAg48HXB97Sb
| 38013
| redwood
| 95
| 2009-10-25
| 60908
| 231618
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 456
| 456
| 1488
| | M6GGpCC_AM6
| 37960
| redwood
| 79
| 2009-10-24
| 609108
| 1927611
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 290
| 290
| 1626
| | M6dGapdG_DZPM6
| 10163
| sequoia
| 100
| 2009-11-16
| 61318
| 245219
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6GCG_M6
| 38629
| redwood
| 91
| 2009-11-14
| 617012
| 2241145
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 230
| 230
| 1378
| | M6AApTT_M6
| 38255
| redwood
| 74
| 2009-11-03
| 617251
| 1818730
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 290
| 290
| 1636
| | M6irmrdx3b
| 10274
| sequoia
| 100
| 2009-11-21
| 62617
| 125135
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6irmrdx6b
| 10273
| sequoia
| 100
| 2009-11-21
| 62618
| 125152
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | X1TA_ds_conM5
| 10069
| sequoia
| 100
| 2009-11-11
| 631365
| 2520133
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | M6GCGa_M6
| 38162
| redwood
| 87
| 2009-11-01
| 632188
| 2209076
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 231
| 230
| 1378
| | G6k19-09
| 38531
| redwood
| 83
| 2009-11-11
| 63292
| 208961
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 149
| 149
| 795
| | M6AApTT_AM6
| 37874
| redwood
| 80
| 2009-10-20
| 636436
| 2047629
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 290
| 290
| 1636
| | DXdGpdC_W8_ani
| 38207
| redwood
| 99
| 2009-11-02
| 644854
| 2554517
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| 331
| 330
| 2008
| | GMk03lbs
| 10067
| sequoia
| 100
| 2009-11-11
| 651257
| 2604134
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | GMk01lbs
| 10066
| sequoia
| 100
| 2009-11-11
| 672909
| 2690675
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | GMk02lbs
| 10065
| sequoia
| 100
| 2009-11-11
| 682428
| 2728733
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | DXdGpdC_W8_IP_
| 38138
| redwood
| 98
| 2009-10-30
| 688866
| 2711523
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| 330
| 329
| 2008
| | M6TA_ds_conM6
| 10060
| sequoia
| 100
| 2009-11-11
| 703257
| 2812019
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6BB1B_TM6
| 38400
| redwood
| 85
| 2009-11-06
| 704725
| 2393507
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 192
| 190
| 1146
| | M6GGpCCa_M6
| 10059
| sequoia
| 100
| 2009-11-10
| 706985
| 2826881
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | X1dTLdTa_M05x3
| 22478
| mimosa
| -
| 2009-11-13
| 708056
| 619051
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | M6BB1B_bh
| 38251
| redwood
| 83
| 2009-11-03
| 719413
| 2393591
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | D2H8LCl-H8Clod
| 38610
| redwood
| 77
| 2009-11-13
| 724522
| 2240910
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 166
| 166
| 1262
| | M6r2dftc
| 38830
| redwood
| 76
| 2009-11-21
| 73410
| 222134
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 32
| 32
| 529
| | DXTP-Ph-T1
| 22848
| mimosa
| -
| 2009-11-22
| 7415
| 7080
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 161
| 161
| 1022
| | M6bBBB_M6
| 38468
| redwood
| 84
| 2009-11-09
| 752884
| 2537259
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | D2H8LCl-H8Clod
| 38611
| redwood
| 84
| 2009-11-13
| 755323
| 1275348
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 2nd
| 166
| 166
| 1262
| | X1dTLdTM5_TSR
| 22506
| mimosa
| -
| 2009-11-13
| 763466
| 472147
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | M6GCG_M6
| 10043
| sequoia
| 100
| 2009-11-09
| 772542
| 3089620
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | X1molecule-thr
| 10160
| sequoia
| 99
| 2009-11-16
| 77550
| 308042
| 4
| 3200mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | D1PR6opt9H2AP
| 38822
| redwood
| 97
| 2009-11-21
| 77776
| 151490
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 35
| 730
| | M6GCGa_M6
| 10042
| sequoia
| 100
| 2009-11-09
| 782614
| 3128761
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M4mc2s
| 38837
| redwood
| 81
| 2009-11-22
| 7963
| 25953
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 35
| 34
| 226
| | HXAg30HHfSbkj
| 22804
| mimosa
| -
| 2009-11-21
| 79662
| 78976
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 285
| 285
| 930
| | HXAg24HHfSbkj
| 22803
| mimosa
| -
| 2009-11-21
| 79665
| 79201
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 228
| 228
| 744
| | D1PR7opt9H2AP
| 38823
| redwood
| 95
| 2009-11-21
| 8211
| 15543
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 35
| 730
| | M6BBB1_TM6
| 38399
| redwood
| 85
| 2009-11-06
| 827192
| 2812047
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 192
| 190
| 1146
| | PXtolimidmp2s
| 38858
| redwood
| 90
| 2009-11-22
| 8363
| 15040
| 2
| 1600mb
| Gaussian 03
| Many-body Perturbative
| none
| 71
| 71
| 410
| | M6GC_ds_AM6r
| 10039
| sequoia
| 100
| 2009-11-09
| 844224
| 3375732
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6bBB1B_TM6
| 10032
| sequoia
| 100
| 2009-11-09
| 856795
| 3424723
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6bBB1B_M6
| 10031
| sequoia
| 100
| 2009-11-09
| 865973
| 3460490
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | X1dTLdTa_M05x3
| 22449
| mimosa
| -
| 2009-11-12
| 873357
| 516821
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | M6bBB1B_TM6
| 38457
| redwood
| 86
| 2009-11-09
| 879724
| 3033293
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 192
| 190
| 1146
| | D2H8LSO4odiffr
| 38463
| redwood
| 76
| 2009-11-09
| 879876
| 2680378
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 191
| 191
| 1436
| | X1molecule-thr
| 10159
| sequoia
| 100
| 2009-11-16
| 88244
| 351304
| 4
| 3200mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | M6bBB1B1_TM6
| 10027
| sequoia
| 100
| 2009-11-09
| 903910
| 3613108
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6bBB1B_M6
| 38456
| redwood
| 81
| 2009-11-09
| 903927
| 2925918
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | M6r2dftb
| 22809
| mimosa
| -
| 2009-11-21
| 93389
| 90484
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 32
| 32
| 340
| | M6dGpdGa_PCM_D
| 10025
| sequoia
| 100
| 2009-11-09
| 937413
| 3748873
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGpdGa_DZPM6
| 10024
| sequoia
| 100
| 2009-11-09
| 939422
| 3756257
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | D1al2o3loh2wn
| 10156
| sequoia
| 99
| 2009-11-16
| 94338
| 374181
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | M6CG_dry_AM6
| 10023
| sequoia
| 100
| 2009-11-09
| 953063
| 3810790
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGapdG_PCM_D
| 10022
| sequoia
| 100
| 2009-11-09
| 953768
| 3814062
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | GMk04lbs-09
| 22396
| mimosa
| -
| 2009-11-11
| 955942
| 955140
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 149
| 149
| 1154
| | C2cpd3cis1tzf
| 38529
| redwood
| 93
| 2009-11-11
| 967135
| 899159
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 16
| 16
| 148
| | X1dGpdGa_M5
| 22377
| mimosa
| -
| 2009-11-11
| 971309
| 887477
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | M6irmrdx2bs
| 22806
| mimosa
| -
| 2009-11-21
| 98425
| 98342
| 1
| 153600kb
| Gaussian 09
| Exotic
|
| 334
| 334
| 960
| | M6TTpAA_AM6_a
| 10008
| sequoia
| 100
| 2009-11-08
| 999218
| 3995482
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
|
|
