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Disk Usage | Queues | Current Jobs | Job History | Info | Accounts
|Grants
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My Students...
Disk Usage | Queues | Current Jobs | Job History | Info | Accounts
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System...
Disk Usage | Queues | Current Jobs | Job History | Documentation
Finished Jobs
| |
Risk of Wasting CPU Resources |
Abbreviations
Efcy = Efficiency (%).
WT = Wall Time in seconds.
CT = CPU Time in seconds.
CU = CPUs Used.
RM = Requested Memory.
App = Application.
OD = Order of the Derivative.
|
|
Low
|
Greater than or equal to ideal target efcy.
|
|
Elevated
|
Met minimum target efcy (50%), but not ideal target efcy (75%).
|
|
High
|
Met the breakeven efcy, but has not met minimum target efcy(50%).
|
| Severe
|
Below breakeven efcy (1 / no. of cpus).
|
| None
|
A one CPU job.
|
| Unknown
|
A Mimosa job.
|
|
|
|
The last 250 jobs finished at MCSR. View last 100 | 500 | 1000 jobs.
|
| Job Name |
Job ID |
System |
Efcy |
End |
WT |
CT |
CU |
RM |
App |
Theoretical Method |
OD | | DXVES_1NN_S2_C
| 5507
| sweetgum
| 82
| 2008-05-05
| 4787
| 7896
| 2
| 700mb
| Gaussian 03
| Density-Functional
| none
| | DXVES_1NN_S1_A
| 5503
| sweetgum
| 71
| 2008-05-05
| 3756
| 5369
| 2
| 700mb
| Gaussian 03
| Density-Functional
| none
| | DXVES_1NN_S2
| 5505
| sweetgum
| 49
| 2008-05-05
| 4217
| 4140
| 2
| 700mb
| Gaussian 03
| Density-Functional
| none
| | DXVES_1NN_S1
| 5502
| sweetgum
| 99
| 2008-05-05
| 4096
| 8077
| 2
| 700mb
| Gaussian 03
| Density-Functional
| none
| | X1d73_opt
| 24259
| redwood
| 80
| 2008-05-06
| 5766
| 18477
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | X1d73_T
| 24258
| redwood
| 61
| 2008-05-06
| 9266
| 22427
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | D11a1pes-3
| 24260
| redwood
| 33
| 2008-05-06
| 4275
| 5685
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | H1si15fkAr
| 24262
| redwood
| 46
| 2008-05-05
| 5341
| 9889
| 4
| 3200mb
| Gaussian 03
| Hartree-Fock
| 1st
| | P1hgo3-ts-mp2-
| 24261
| redwood
| 23
| 2008-05-05
| 3068
| 2779
| 4
| 3500mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D11a1pes31
| 35302
| mimosa
| -
| 2008-05-06
| 4309
| 2141
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes-5
| 35299
| mimosa
| -
| 2008-05-06
| 6708
| 7419
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | DX4b2-lbs
| 35303
| mimosa
| -
| 2008-05-07
| 12198
| 10705
| 2
| 400mb
| Gaussian 03
| Density-Functional
| none
| | D11a1pes-6
| 35301
| mimosa
| -
| 2008-05-06
| 7204
| 9342
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes-4
| 35300
| mimosa
| -
| 2008-05-05
| 4412
| 2514
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aspacid1
| 24263
| redwood
| 87
| 2008-05-05
| 2944
| 2566
| 1
| 1024mb
| Gaussian 03
| Density-Functional
| 1st
| | H1na_t8
| 24266
| redwood
| 123
| 2008-05-06
| 2266
| 2781
| 1
| 200mb
| Gaussian 03
| Hartree-Fock
| 1st
| | H1co_t8
| 24265
| redwood
| 72
| 2008-05-06
| 7063
| 5117
| 1
| 200mb
| Gaussian 03
| Hartree-Fock
| 1st
| | D1Si16D4dAr
| 35315
| mimosa
| -
| 2008-05-07
| 14730
| 11679
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1si14d6dArBP8
| 35317
| mimosa
| -
| 2008-05-06
| 8098
| 7720
| 2
| 500mb
| Gaussian 03
| Density-Functional
| 1st
| | D1si16d4dArim1
| 35314
| mimosa
| -
| 2008-05-06
| 10250
| 10402
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D16Mg
| 5509
| sweetgum
| 23
| 2008-05-06
| 3944
| 3641
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | P13alimp2
| 5512
| sweetgum
| 19
| 2008-05-06
| 4380
| 3364
| 4
| 1800mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D16Ca
| 5511
| sweetgum
| 22
| 2008-05-06
| 3928
| 3438
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D16aMg
| 5510
| sweetgum
| 23
| 2008-05-06
| 3936
| 3626
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | PX1Namp26311g2
| 24270
| redwood
| 25
| 2008-05-09
| 2655
| 1323
| 2
| 3000mb
| Gaussian 03
| Many-body Perturbative
| none
| | PX1kmp26311g2d
| 24269
| redwood
| 61
| 2008-05-09
| 1051
| 1273
| 2
| 3000mb
| Gaussian 03
| Many-body Perturbative
| none
| | X1dCpdT
| 35323
| mimosa
| -
| 2008-05-09
| 37420
| 35469
| 4
| 500mb
| Gaussian 03
| Exotic
| 1st
| | D14aLi
| 35322
| mimosa
| -
| 2008-05-08
| 20132
| 19503
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D23sc41f
| 24276
| redwood
| 106
| 2008-05-07
| 11226
| 11938
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 2nd
| | D11a1pes28
| 24277
| redwood
| 29
| 2008-05-07
| 4493
| 5143
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_7
| 5515
| sweetgum
| 84
| 2008-05-06
| 7578
| 25561
| 4
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | DX2Nab3lyp6311
| 5514
| sweetgum
| 25
| 2008-05-06
| 3508
| 3459
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| none
| | D1GC16AU1-STG
| 24279
| redwood
| 88
| 2008-05-10
| 13708
| 48364
| 4
| 3584mb
| Gaussian 03
| Density-Functional
| 1st
| | P1aui4_mp2
| 5517
| sweetgum
| 47
| 2008-05-06
| 2874
| 5354
| 4
| 900mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D1aui6_dz_nosy
| 5518
| sweetgum
| 84
| 2008-05-06
| 6591
| 22052
| 4
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_cc
| 5520
| sweetgum
| 89
| 2008-05-07
| 8729
| 31188
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_2_cc
| 35333
| mimosa
| -
| 2008-05-07
| 9467
| 8621
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | X1aaa_dz
| 5521
| sweetgum
| 16
| 2008-05-08
| 16092
| 10463
| 4
| 1800mb
| Gaussian 03
| Exotic
| 1st
| | DX2Kb3lyp6311g
| 5522
| sweetgum
| 11
| 2008-05-06
| 3029
| 1332
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| none
| | X1d73_opt
| 24281
| redwood
| 80
| 2008-05-07
| 4818
| 15440
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | X1d73_T
| 24280
| redwood
| 72
| 2008-05-07
| 7656
| 22013
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | D11a1pes32
| 35343
| mimosa
| -
| 2008-05-06
| 4154
| 2699
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes33
| 35349
| mimosa
| -
| 2008-05-08
| 15579
| 15430
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes-5
| 35345
| mimosa
| -
| 2008-05-07
| 8521
| 6890
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes31
| 35342
| mimosa
| -
| 2008-05-07
| 11316
| 9607
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes-6
| 35346
| mimosa
| -
| 2008-05-07
| 10073
| 7093
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes34
| 35350
| mimosa
| -
| 2008-05-08
| 10155
| 9804
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes29
| 35347
| mimosa
| -
| 2008-05-07
| 9373
| 9093
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes-4
| 35344
| mimosa
| -
| 2008-05-07
| 9971
| 9038
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11b1-3
| 35351
| mimosa
| -
| 2008-05-07
| 3081
| 1561
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | DXTD-Salb1_B3L
| 5527
| sweetgum
| 93
| 2008-05-07
| 10442
| 19380
| 2
| 500mb
| Gaussian 03
| Density-Functional
| none
| | DXTD-Salb1_B3L
| 5526
| sweetgum
| 73
| 2008-05-07
| 7259
| 10555
| 2
| 500mb
| Gaussian 03
| Density-Functional
| none
| | DXTD-Salb1_B3L
| 5525
| sweetgum
| 74
| 2008-05-07
| 7831
| 11623
| 2
| 500mb
| Gaussian 03
| Density-Functional
| none
| | DXTD-Salb1_B3L
| 5524
| sweetgum
| 80
| 2008-05-07
| 11853
| 19005
| 2
| 500mb
| Gaussian 03
| Density-Functional
| none
| | DXTD-Salb1_B3L
| 5523
| sweetgum
| 78
| 2008-05-07
| 10625
| 16611
| 2
| 500mb
| Gaussian 03
| Density-Functional
| none
| | DXTD_Ioprom2
| 5530
| sweetgum
| 70
| 2008-05-07
| 6990
| 9835
| 2
| 500mb
| Gaussian 03
| Density-Functional
| none
| | D1aui10_8
| 35357
| mimosa
| -
| 2008-05-06
| 631
| 3508
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui16_8
| 35355
| mimosa
| -
| 2008-05-06
| 2579
| 2111
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui8_8
| 5532
| sweetgum
| 15
| 2008-05-07
| 8536
| 5144
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_8
| 5531
| sweetgum
| 13
| 2008-05-06
| 5248
| 2749
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D22ec31f
| 24285
| redwood
| 92
| 2008-05-07
| 9566
| 8847
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 2nd
| | DX3a1lbs
| 24283
| redwood
| 43
| 2008-05-09
| 5296
| 9168
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | D22e31f
| 24286
| redwood
| 79
| 2008-05-08
| 14103
| 11141
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 2nd
| | D1aui20_8
| 35360
| mimosa
| -
| 2008-05-07
| 6048
| 4300
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | bl71471435.pbs
| 35379
| mimosa
| -
| 2008-05-08
| 15895
| 15799
| 1
| 1gb
| Unknown
|
|
| | bl3535714.pbs
| 35363
| mimosa
| -
| 2008-05-08
| 17051
| 16953
| 1
| 1gb
| Unknown
|
|
| | bl510714510.pbs
| 35371
| mimosa
| -
| 2008-05-08
| 16397
| 16297
| 1
| 1gb
| Unknown
|
|
| | bl510714714.pbs
| 35372
| mimosa
| -
| 2008-05-08
| 16011
| 15914
| 1
| 1gb
| Unknown
|
|
| | bl3571435.pbs
| 35364
| mimosa
| -
| 2008-05-08
| 16364
| 16269
| 1
| 1gb
| Unknown
|
|
| | bl510510714.pbs
| 35369
| mimosa
| -
| 2008-05-08
| 16389
| 16289
| 1
| 1gb
| Unknown
|
|
| | bl510510510.pbs
| 35368
| mimosa
| -
| 2008-05-08
| 16383
| 16295
| 1
| 1gb
| Unknown
|
|
| | bl714714714.pbs
| 35381
| mimosa
| -
| 2008-05-08
| 16264
| 16163
| 1
| 1gb
| Unknown
|
|
| | D1si14d6dArBP8
| 35361
| mimosa
| -
| 2008-05-09
| 25378
| 25061
| 2
| 500mb
| Gaussian 03
| Density-Functional
| 1st
| | bl51071435.pbs
| 35370
| mimosa
| -
| 2008-05-08
| 16378
| 16280
| 1
| 1gb
| Unknown
|
|
| | bl714510714.pbs
| 35378
| mimosa
| -
| 2008-05-08
| 15962
| 15865
| 1
| 1gb
| Unknown
|
|
| | bl51035714.pbs
| 35366
| mimosa
| -
| 2008-05-08
| 16408
| 16313
| 1
| 1gb
| Unknown
|
|
| | bl353535.pbs
| 35362
| mimosa
| -
| 2008-05-08
| 16997
| 16865
| 1
| 1gb
| Unknown
|
|
| | bl714714510.pbs
| 35380
| mimosa
| -
| 2008-05-08
| 15954
| 15856
| 1
| 1gb
| Unknown
|
|
| | bl71435714.pbs
| 35375
| mimosa
| -
| 2008-05-08
| 15893
| 15810
| 1
| 1gb
| Unknown
|
|
| | bl71451035.pbs
| 35376
| mimosa
| -
| 2008-05-08
| 16251
| 16166
| 1
| 1gb
| Unknown
|
|
| | bl35714714.pbs
| 35365
| mimosa
| -
| 2008-05-08
| 16102
| 16005
| 1
| 1gb
| Unknown
|
|
| | bl7143535.pbs
| 35373
| mimosa
| -
| 2008-05-08
| 16340
| 16253
| 1
| 1gb
| Unknown
|
|
| | bl714510510.pbs
| 35377
| mimosa
| -
| 2008-05-08
| 16360
| 16262
| 1
| 1gb
| Unknown
|
|
| | bl51051035.pbs
| 35367
| mimosa
| -
| 2008-05-08
| 16392
| 16297
| 1
| 1gb
| Unknown
|
|
| | bl71435510.pbs
| 35374
| mimosa
| -
| 2008-05-08
| 16373
| 16278
| 1
| 1gb
| Unknown
|
|
| | D11a1p2-28
| 24292
| redwood
| 70
| 2008-05-10
| 12247
| 34277
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p2-27
| 24293
| redwood
| 70
| 2008-05-09
| 5796
| 16227
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui10_8
| 35383
| mimosa
| -
| 2008-05-07
| 1117
| 925
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DXca1_min1
| 35387
| mimosa
| -
| 2008-05-07
| 1962
| 1739
| 4
| 900mb
| Gaussian 03
| Density-Functional
| none
| | D2aui10_8
| 35388
| mimosa
| -
| 2008-05-07
| 11
| 5
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 2nd
| | D1aui16_8
| 35385
| mimosa
| -
| 2008-05-07
| 4215
| 2926
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_7
| 5548
| sweetgum
| 70
| 2008-05-07
| 8424
| 23435
| 4
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | DX2Kb3lyp6311g
| 5551
| sweetgum
| 24
| 2008-05-07
| 346
| 339
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| none
| | DX2Nab3lyp6311
| 5552
| sweetgum
| 25
| 2008-05-07
| 651
| 644
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| none
| | D1aui6_dz_nosy
| 5550
| sweetgum
| 80
| 2008-05-08
| 14502
| 46341
| 4
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_8
| 5556
| sweetgum
| 114
| 2008-05-07
| 1464
| 6693
| 4
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1t_16cyc
| 35389
| mimosa
| -
| 2008-05-08
| 14588
| 15693
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DX2Nab3lyp6311
| 5559
| sweetgum
| 24
| 2008-05-07
| 3899
| 3770
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| none
| | DX2Kb3lyp6311g
| 5558
| sweetgum
| 24
| 2008-05-07
| 3230
| 3130
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| none
| | DX2Lib3lyp6311
| 5560
| sweetgum
| 23
| 2008-05-07
| 3284
| 2987
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| none
| | D1aui20_8
| 35391
| mimosa
| -
| 2008-05-07
| 3294
| 2877
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui12_3
| 35393
| mimosa
| -
| 2008-05-07
| 2554
| 2150
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_2_sym
| 35394
| mimosa
| -
| 2008-05-07
| 2209
| 2069
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui8_new
| 5562
| sweetgum
| 31
| 2008-05-08
| 9698
| 12201
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui16_8
| 35399
| mimosa
| -
| 2008-05-07
| 3546
| 3291
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui20_8
| 35398
| mimosa
| -
| 2008-05-07
| 398
| 3456
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui12_3
| 35397
| mimosa
| -
| 2008-05-07
| 151
| 135
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui12_3
| 35403
| mimosa
| -
| 2008-05-07
| 1477
| 1401
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D2aui8_8
| 5564
| sweetgum
| 137
| 2008-05-07
| 521
| 2853
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 2nd
| | D1rbcl
| 35407
| mimosa
| -
| 2008-05-08
| 8157
| 11109
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1cscl
| 35408
| mimosa
| -
| 2008-05-07
| 5238
| 5058
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui12_3
| 35409
| mimosa
| -
| 2008-05-07
| 8246
| 6719
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DXplanar2bical
| 5571
| sweetgum
| 116
| 2008-05-07
| 2170
| 5056
| 2
| 900mb
| Gaussian 03
| Density-Functional
| none
| | D11a1pes-6
| 35413
| mimosa
| -
| 2008-05-08
| 11625
| 12547
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes32
| 35411
| mimosa
| -
| 2008-05-08
| 8538
| 7152
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes31
| 35410
| mimosa
| -
| 2008-05-08
| 13799
| 11505
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes-4
| 35412
| mimosa
| -
| 2008-05-07
| 1124
| 668
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | DXplanar3bica
| 5572
| sweetgum
| 62
| 2008-05-08
| 8089
| 10020
| 2
| 900mb
| Gaussian 03
| Density-Functional
| none
| | DXplanar4bica
| 5573
| sweetgum
| 76
| 2008-05-08
| 8549
| 12939
| 2
| 900mb
| Gaussian 03
| Density-Functional
| none
| | D11a1pes29
| 35416
| mimosa
| -
| 2008-05-08
| 6686
| 5949
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes27
| 35417
| mimosa
| -
| 2008-05-08
| 11786
| 11498
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | DX4b2-lbs
| 35414
| mimosa
| -
| 2008-05-08
| 12431
| 11506
| 2
| 400mb
| Gaussian 03
| Density-Functional
| none
| | D11a1pes26
| 35418
| mimosa
| -
| 2008-05-08
| 12096
| 12199
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes-7
| 35415
| mimosa
| -
| 2008-05-08
| 13183
| 11358
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | DXTD_Ioprom2b
| 5577
| sweetgum
| 89
| 2008-05-08
| 4379
| 7808
| 2
| 500mb
| Gaussian 03
| Density-Functional
| none
| | D11a1pes28
| 24303
| redwood
| 46
| 2008-05-09
| 3295
| 6095
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | X1d73_T
| 24302
| redwood
| 49
| 2008-05-09
| 1067
| 2075
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | XXTD_Salb1_PEB
| 5581
| sweetgum
| 94
| 2008-05-09
| 14412
| 27142
| 2
| 500mb
| Gaussian 03
| Exotic
| none
| | XXTD_Salb1_PEB
| 5578
| sweetgum
| 94
| 2008-05-09
| 13332
| 25076
| 2
| 500mb
| Gaussian 03
| Exotic
| none
| | XXTD_Salb1_PEB
| 5579
| sweetgum
| 84
| 2008-05-09
| 15100
| 25348
| 2
| 500mb
| Gaussian 03
| Exotic
| none
| | CXNSN-H2-ATZ
| 5583
| sweetgum
| 38
| 2008-05-09
| 15484
| 5820
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | XXTD_Salb1_PEB
| 5582
| sweetgum
| 90
| 2008-05-09
| 16679
| 29915
| 2
| 500mb
| Gaussian 03
| Exotic
| none
| | D11a1pes-8
| 35427
| mimosa
| -
| 2008-05-10
| 14037
| 13641
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11b1p-3
| 35428
| mimosa
| -
| 2008-05-10
| 13480
| 12887
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | X1d73_opt
| 24309
| redwood
| 81
| 2008-05-09
| 6467
| 20919
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | CX0deg-ATZ
| 5584
| sweetgum
| 105
| 2008-05-07
| 2269
| 2379
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | CX180deg-ATZ
| 5587
| sweetgum
| 60
| 2008-05-08
| 7766
| 4625
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | CXsnnh2-ATZ
| 5593
| sweetgum
| 31
| 2008-05-09
| 10380
| 3191
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | CX0-180deg-ATZ
| 5588
| sweetgum
| 39
| 2008-05-08
| 8829
| 3479
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | CXNSN-H2-ATZ
| 5589
| sweetgum
| 36
| 2008-05-09
| 13558
| 4832
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | CXnon-c2-ATZ
| 5591
| sweetgum
| 38
| 2008-05-09
| 12734
| 4785
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | CXtetra-ATZ
| 5592
| sweetgum
| 41
| 2008-05-08
| 6415
| 2605
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | CXcyc-c2-ATZ
| 5594
| sweetgum
| 68
| 2008-05-08
| 4457
| 3028
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | D1aui12_3
| 35430
| mimosa
| -
| 2008-05-08
| 3309
| 2787
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui20_8
| 35431
| mimosa
| -
| 2008-05-08
| 3960
| 3203
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_7
| 5596
| sweetgum
| 37
| 2008-05-08
| 3564
| 5204
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui3_3_ugbs
| 35432
| mimosa
| -
| 2008-05-08
| 886
| 829
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DXc2
| 35433
| mimosa
| -
| 2008-05-10
| 12854
| 10975
| 2
| 800mb
| Gaussian 03
| Density-Functional
| none
| | met_opt
| 35436
| mimosa
| -
| 2008-05-09
| 3113
| 2922
| 2
| 2000mb
| Unknown
|
|
| | D1aui3_3_ugbs
| 35437
| mimosa
| -
| 2008-05-09
| 10781
| 7654
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | X1aaa_dz
| 5597
| sweetgum
| 40
| 2008-05-10
| 22392
| 35555
| 4
| 1800mb
| Gaussian 03
| Exotic
| 1st
| | D1ticl3_16lin
| 35438
| mimosa
| -
| 2008-05-09
| 8615
| 8585
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui12_lin
| 35440
| mimosa
| -
| 2008-05-08
| 1609
| 1570
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DXTD_Ioprom2c
| 5599
| sweetgum
| 79
| 2008-05-09
| 12985
| 20459
| 2
| 500mb
| Gaussian 03
| Density-Functional
| none
| | D1aui12_lin
| 35443
| mimosa
| -
| 2008-05-08
| 522
| 425
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Cd7Se7betsta
| 5602
| sweetgum
| 7
| 2008-05-08
| 2131
| 577
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui12_lin
| 35447
| mimosa
| -
| 2008-05-08
| 1610
| 1520
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Cd7Se7betsta
| 5607
| sweetgum
| 43
| 2008-05-09
| 7141
| 12186
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Cd5Se5betsta
| 5605
| sweetgum
| 50
| 2008-05-08
| 1791
| 3600
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Cd3Se3betsta
| 5609
| sweetgum
| 35
| 2008-05-08
| 1190
| 1651
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_lin_sdd
| 5608
| sweetgum
| 15
| 2008-05-09
| 3619
| 2166
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui12_lin
| 35454
| mimosa
| -
| 2008-05-08
| 11
| 6
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui12_lin
| 35455
| mimosa
| -
| 2008-05-08
| 2212
| 2149
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | bl35510510.pbs
| 35465
| mimosa
| -
| 2008-05-10
| 14158
| 14066
| 1
| 1gb
| Unknown
|
|
| | DX2Nab3lyp6311
| 5613
| sweetgum
| 12
| 2008-05-09
| 2893
| 1434
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| none
| | DX2b3lyp6311g2
| 5615
| sweetgum
| 41
| 2008-05-09
| 1837
| 3042
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| none
| | DX2Lib3lyp6311
| 5614
| sweetgum
| 18
| 2008-05-09
| 4425
| 3209
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| none
| | DX2Kb3lyp6311g
| 5616
| sweetgum
| 16
| 2008-05-09
| 2163
| 1408
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| none
| | CXHNNSH-ATZ
| 5612
| sweetgum
| 51
| 2008-05-09
| 5930
| 3003
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | D1aui12_lin
| 35466
| mimosa
| -
| 2008-05-08
| 4354
| 4198
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D14aLi
| 35470
| mimosa
| -
| 2008-05-08
| 523
| 2534
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D14aLi2
| 35468
| mimosa
| -
| 2008-05-09
| 3581
| 4708
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D14aLi3
| 35469
| mimosa
| -
| 2008-05-09
| 5670
| 6929
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D14aLi2
| 35467
| mimosa
| -
| 2008-05-09
| 4308
| 5404
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | CXcyc-c2-QZ
| 5617
| sweetgum
| 49
| 2008-05-10
| 12517
| 6127
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | CX180deg-QZ
| 5618
| sweetgum
| 35
| 2008-05-10
| 13070
| 4585
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | D1t_16cyc
| 35473
| mimosa
| -
| 2008-05-09
| 10296
| 8983
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DXz-10
| 24331
| redwood
| 85
| 2008-05-09
| 6445
| 22012
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX6x4_0
| 24324
| redwood
| 25
| 2008-05-08
| 2035
| 2020
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DXz_25
| 24330
| redwood
| 70
| 2008-05-09
| 5452
| 15265
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX6x4_y1
| 24325
| redwood
| 6
| 2008-05-09
| 3499
| 899
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DXz_0
| 24329
| redwood
| 61
| 2008-05-09
| 5834
| 14247
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX6x4_y2
| 24326
| redwood
| 16
| 2008-05-09
| 4488
| 2869
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX6x4_y4
| 24328
| redwood
| 45
| 2008-05-09
| 1469
| 2640
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX6x4_y3
| 24327
| redwood
| 181
| 2008-05-09
| 419
| 3039
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DXz-50
| 24332
| redwood
| 60
| 2008-05-09
| 2869
| 6837
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | D11a1pes-7
| 35476
| mimosa
| -
| 2008-05-10
| 11151
| 10564
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes27
| 35480
| mimosa
| -
| 2008-05-09
| 3222
| 3492
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p-9
| 35477
| mimosa
| -
| 2008-05-10
| 9283
| 8405
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes31
| 35474
| mimosa
| -
| 2008-05-09
| 1719
| 1187
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes26
| 35479
| mimosa
| -
| 2008-05-10
| 10896
| 8431
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p-10
| 35478
| mimosa
| -
| 2008-05-10
| 9310
| 10235
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p-27
| 35475
| mimosa
| -
| 2008-05-10
| 9517
| 9712
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | XXDIM_4_TD
| 24336
| redwood
| 20
| 2008-05-09
| 1439
| 1144
| 4
| 3400mb
| Gaussian 03
| Exotic
| none
| | D11a1pes33
| 35481
| mimosa
| -
| 2008-05-10
| 9656
| 8762
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes21
| 35483
| mimosa
| -
| 2008-05-10
| 11900
| 11044
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes20
| 35482
| mimosa
| -
| 2008-05-10
| 11578
| 9986
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D2aui3_3_ugbs
| 35487
| mimosa
| -
| 2008-05-09
| 3186
| 2881
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 2nd
| | CXHNNSH-QZ
| 5622
| sweetgum
| 87
| 2008-05-09
| 2500
| 2173
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | CX0-180deg-QZ
| 5623
| sweetgum
| 93
| 2008-05-09
| 3569
| 3302
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | D1aui12_lin
| 35493
| mimosa
| -
| 2008-05-09
| 4887
| 4588
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | nowater.com
| 24349
| redwood
| 26
| 2008-05-09
| 2439
| 1288
| 2
| 1gb
| Unknown
|
|
| | D11a1pes25
| 35509
| mimosa
| -
| 2008-05-10
| 4370
| 5399
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | azo0_opt
| 35508
| mimosa
| -
| 2008-05-10
| 7751
| 6283
| 2
| 2000mb
| Unknown
|
|
| | XXVES_1NN_S1_C
| 5632
| sweetgum
| 74
| 2008-05-10
| 6158
| 9090
| 2
| 700mb
| Gaussian 03
| Exotic
| none
| | XXVES_1NN_S1_A
| 5629
| sweetgum
| 66
| 2008-05-10
| 7144
| 9380
| 2
| 700mb
| Gaussian 03
| Exotic
| none
| | XXVES_1NN_S2_C
| 5631
| sweetgum
| 58
| 2008-05-10
| 4675
| 5465
| 2
| 700mb
| Gaussian 03
| Exotic
| none
| | XXVES_1NN_S1_P
| 5630
| sweetgum
| 96
| 2008-05-09
| 3620
| 6942
| 2
| 700mb
| Gaussian 03
| Exotic
| none
| | DXz-50
| 24350
| redwood
| 74
| 2008-05-09
| 5684
| 16855
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | D1aui12_lin
| 35511
| mimosa
| -
| 2008-05-09
| 2590
| 2477
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui3_3_ugbs
| 35512
| mimosa
| -
| 2008-05-09
| 2823
| 2710
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1ticl3_16lin
| 35510
| mimosa
| -
| 2008-05-09
| 3082
| 2799
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | CXHNNSH-QZ
| 5636
| sweetgum
| 97
| 2008-05-09
| 90
| 87
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | XX0
| 5640
| sweetgum
| 85
| 2008-05-10
| 5079
| 17208
| 4
| 1800mb
| Gaussian 03
| Exotic
| none
| | XXts2_g32
| 5639
| sweetgum
| 54
| 2008-05-10
| 6501
| 3522
| 1
| 400mb
| Gaussian 03
| Exotic
| none
| | HX7x4_0
| 24358
| redwood
| 79
| 2008-05-09
| 946
| 3000
| 4
| 3500mb
| Gaussian 03
| Hartree-Fock
| none
| | DX7x4_100
| 24361
| redwood
| 31
| 2008-05-09
| 3551
| 4348
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | HX7x4_25
| 24359
| redwood
| 32
| 2008-05-09
| 2456
| 3179
| 4
| 3500mb
| Gaussian 03
| Hartree-Fock
| none
| | HX7x4_50
| 24360
| redwood
| 11
| 2008-05-09
| 1887
| 844
| 4
| 3500mb
| Gaussian 03
| Hartree-Fock
| none
| | D1aui16_cyc_dz
| 35523
| mimosa
| -
| 2008-05-09
| 1725
| 933
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1ticl3_16lin
| 35528
| mimosa
| -
| 2008-05-09
| 277
| 249
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DXaui8_lin
| 35527
| mimosa
| -
| 2008-05-09
| 399
| 370
| 4
| 900mb
| Gaussian 03
| Density-Functional
| none
| | D1ticl3_16lin
| 35529
| mimosa
| -
| 2008-05-09
| 4031
| 3627
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DXaui8_lin
| 35532
| mimosa
| -
| 2008-05-09
| 1355
| 1289
| 4
| 900mb
| Gaussian 03
| Density-Functional
| none
| | PXmp2_t_l4
| 35543
| mimosa
| -
| 2008-05-10
| 2810
| 1366
| 2
| 900mb
| Gaussian 03
| Many-body Perturbative
| none
| | PXmp2_t_l1
| 35541
| mimosa
| -
| 2008-05-10
| 1368
| 969
| 2
| 900mb
| Gaussian 03
| Many-body Perturbative
| none
| | PXmp2_t_l2
| 35542
| mimosa
| -
| 2008-05-10
| 3404
| 3184
| 2
| 900mb
| Gaussian 03
| Many-body Perturbative
| none
| | D1ticl3_14lin
| 35545
| mimosa
| -
| 2008-05-09
| 1376
| 2653
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1t_16cyc
| 35539
| mimosa
| -
| 2008-05-09
| 2314
| 2161
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | PXmp2_bst_cl1
| 35536
| mimosa
| -
| 2008-05-10
| 9052
| 4112
| 2
| 900mb
| Gaussian 03
| Many-body Perturbative
| none
| | PXmp2_bst_cl3
| 35537
| mimosa
| -
| 2008-05-10
| 9694
| 5111
| 2
| 900mb
| Gaussian 03
| Many-body Perturbative
| none
| | D1aui4_5_d1
| 5649
| sweetgum
| 66
| 2008-05-10
| 5762
| 15250
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui8_lin_sdd
| 5651
| sweetgum
| 93
| 2008-05-10
| 947
| 3530
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_9
| 5648
| sweetgum
| 34
| 2008-05-10
| 7070
| 9510
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1t_16cyc
| 35548
| mimosa
| -
| 2008-05-10
| 9826
| 8530
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui12_lin
| 35547
| mimosa
| -
| 2008-05-09
| 3521
| 3456
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1ticl3_14lin
| 35549
| mimosa
| -
| 2008-05-10
| 6639
| 5676
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1ticl3_16lin
| 35550
| mimosa
| -
| 2008-05-10
| 3931
| 3396
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DX7x4_0
| 24372
| redwood
| 96
| 2008-05-10
| 1469
| 5653
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX7x4_0007
| 24386
| redwood
| 83
| 2008-05-10
| 1404
| 4673
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX7x4_0006
| 24385
| redwood
| 68
| 2008-05-10
| 1767
| 4830
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX7x4_001
| 24383
| redwood
| 36
| 2008-05-10
| 3324
| 4751
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX7x4_0005
| 24382
| redwood
| 31
| 2008-05-10
| 4279
| 5274
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX7x4_0008
| 24384
| redwood
| 64
| 2008-05-10
| 2422
| 6192
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | D1ticl3_16lin
| 35551
| mimosa
| -
| 2008-05-10
| 4440
| 6159
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | XXch3shg3b
| 5659
| sweetgum
| 83
| 2008-05-10
| 2161
| 1802
| 1
| 400mb
| Gaussian 03
| Exotic
| none
| | XXch3shg3a
| 5658
| sweetgum
| 68
| 2008-05-10
| 951
| 651
| 1
| 400mb
| Gaussian 03
| Exotic
| none
| | D11a1p-10
| 35553
| mimosa
| -
| 2008-05-10
| 668
| 538
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | XXch3sg3a
| 5660
| sweetgum
| 37
| 2008-05-10
| 2730
| 1006
| 1
| 400mb
| Gaussian 03
| Exotic
| none
| | XXch3sg3b
| 5661
| sweetgum
| 41
| 2008-05-10
| 1482
| 607
| 1
| 400mb
| Gaussian 03
| Exotic
| none
|
|
