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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 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 | | D1Cd5Se5ccpvtz
| 24125
| redwood
| 75
| 2008-05-03
| 41329
| 124807
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Cd9Se9l2dz
| 35132
| mimosa
| -
| 2008-04-30
| 4314
| 6567
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Cd5Se5l2dz
| 35133
| mimosa
| -
| 2008-04-30
| 632
| 599
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Cd3Se3ccpvtz
| 5345
| sweetgum
| 93
| 2008-05-05
| 58718
| 217749
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Cd5Se5ccpvtz
| 5343
| sweetgum
| 100
| 2008-05-05
| 54635
| 218455
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1pes1a1
| 5347
| sweetgum
| 90
| 2008-05-05
| 59311
| 106282
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11b1pes
| 5349
| sweetgum
| 100
| 2008-05-05
| 56610
| 112737
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | DX4a2-4b2-lbs
| 35140
| mimosa
| -
| 2008-05-01
| 9901
| 7167
| 2
| 400mb
| Gaussian 03
| Density-Functional
| none
| | DX4b1lbs
| 35138
| mimosa
| -
| 2008-05-01
| 12527
| 9360
| 2
| 400mb
| Gaussian 03
| Density-Functional
| none
| | D1ticl3_8lin_6
| 35141
| mimosa
| -
| 2008-05-01
| 18030
| 19151
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui36_4p
| 35139
| mimosa
| -
| 2008-04-29
| 1112
| 978
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DX4a1lbs
| 35137
| mimosa
| -
| 2008-05-01
| 12985
| 9111
| 2
| 400mb
| Gaussian 03
| Density-Functional
| none
| | DX2b1lbs
| 24137
| redwood
| 32
| 2008-05-09
| 5308
| 6829
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | DX1a1lbs
| 24133
| redwood
| 72
| 2008-05-06
| 14732
| 42668
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | DX2a2-2b2-lbs
| 24138
| redwood
| 73
| 2008-04-30
| 3609
| 10585
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | DX3a1lbs
| 24139
| redwood
| 79
| 2008-05-06
| 56963
| 181076
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | DX1b1lbs
| 24131
| redwood
| 77
| 2008-05-06
| 15043
| 46628
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | DX2a1lbs
| 24136
| redwood
| 42
| 2008-05-09
| 5309
| 8820
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | DX1a2-1b2-lbs
| 24135
| redwood
| 43
| 2008-05-05
| 3692
| 6307
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | D1cscl
| 35142
| mimosa
| -
| 2008-05-02
| 30200
| 29611
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | I1aui6_cisd
| 5357
| sweetgum
| 36
| 2008-05-09
| 72870
| 105280
| 4
| 1800mb
| Gaussian 03
| Configuration Interaction
| 1st
| | D1ticl3_14cyc
| 5354
| sweetgum
| 71
| 2008-05-03
| 12728
| 36361
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1a8_1
| 5355
| sweetgum
| 83
| 2008-05-01
| 3535
| 11681
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | P1aui6_sdd_mp2
| 5356
| sweetgum
| 58
| 2008-05-05
| 23707
| 54690
| 4
| 1800mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | DXca1_min1
| 35144
| mimosa
| -
| 2008-05-06
| 70750
| 69443
| 4
| 900mb
| Gaussian 03
| Density-Functional
| none
| | D110edpr
| 35145
| mimosa
| -
| 2008-04-29
| 4691
| 7573
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D2aui6_dz_nosy
| 5361
| sweetgum
| 78
| 2008-04-30
| 15370
| 48033
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 2nd
| | D2sixtet2
| 5359
| sweetgum
| 35
| 2008-05-02
| 5931
| 8366
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 2nd
| | D1tetra5
| 5360
| sweetgum
| 109
| 2008-04-29
| 4747
| 10313
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1sixtet1_sdd
| 5358
| sweetgum
| 74
| 2008-04-30
| 7704
| 22868
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui10_dz
| 5365
| sweetgum
| 74
| 2008-04-29
| 2667
| 7917
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui3
| 5363
| sweetgum
| 96
| 2008-04-29
| 1182
| 2266
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui4_2
| 5364
| sweetgum
| 60
| 2008-04-29
| 6183
| 7463
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | X1aaa_dz
| 5362
| sweetgum
| 42
| 2008-05-02
| 29542
| 50023
| 4
| 1800mb
| Gaussian 03
| Exotic
| 1st
| | D15v12pr
| 35146
| mimosa
| -
| 2008-04-30
| 8689
| 11395
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1dc10ed
| 35147
| mimosa
| -
| 2008-05-01
| 6129
| 5832
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | PXenergy
| 35148
| mimosa
| -
| 2008-05-04
| 44894
| 43571
| 6
| 900mb
| Gaussian 03
| Many-body Perturbative
| none
| | PXenergy
| 35149
| mimosa
| -
| 2008-05-06
| 62041
| 61871
| 6
| 900mb
| Gaussian 03
| Many-body Perturbative
| none
| | P13ali
| 24143
| redwood
| 86
| 2008-05-01
| 11830
| 10191
| 1
| 2048mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D11bebsseopt
| 35153
| mimosa
| -
| 2008-04-30
| 753
| 745
| 1
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11Nabsseopt
| 35151
| mimosa
| -
| 2008-04-30
| 635
| 625
| 1
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D15vcpcm
| 35157
| mimosa
| -
| 2008-05-01
| 10618
| 9910
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D15vpcm1
| 35156
| mimosa
| -
| 2008-05-02
| 14308
| 16582
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11b1pes
| 35158
| mimosa
| -
| 2008-05-03
| 27889
| 30357
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1tr_dm_dz
| 5367
| sweetgum
| 71
| 2008-05-01
| 1852
| 5241
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D11NN_Ground_O
| 5374
| sweetgum
| 99
| 2008-04-30
| 7277
| 14441
| 2
| 700mb
| Gaussian 03
| Density-Functional
| 1st
| | X2CIS2M1NNc_Fr
| 5371
| sweetgum
| 64
| 2008-04-29
| 835
| 1071
| 2
| 700mb
| Gaussian 03
| Exotic
| 2nd
| | D12nec4
| 5378
| sweetgum
| 22
| 2008-05-02
| 16473
| 14527
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D12M1NN_GS_OPT
| 5376
| sweetgum
| 86
| 2008-04-30
| 8686
| 14884
| 2
| 700mb
| Gaussian 03
| Density-Functional
| 1st
| | P1hgo3-mp2-c2v
| 24144
| redwood
| 82
| 2008-04-29
| 1480
| 4864
| 4
| 3500mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D1pr16
| 24145
| redwood
| 93
| 2008-05-02
| 19482
| 18059
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1c1925g
| 5381
| sweetgum
| 23
| 2008-05-01
| 4558
| 4247
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui10_sdd
| 5379
| sweetgum
| 62
| 2008-05-03
| 13333
| 32939
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1pr21g
| 5380
| sweetgum
| 24
| 2008-05-04
| 34771
| 33561
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui7_1
| 5382
| sweetgum
| 25
| 2008-05-02
| 7071
| 7198
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D2MgO-Au-dfpr
| 24146
| redwood
| 61
| 2008-05-09
| 3333
| 8142
| 4
| 3584mb
| Gaussian 03
| Density-Functional
| 2nd
| | H1feh2_t10
| 35164
| mimosa
| -
| 2008-05-02
| 16021
| 15238
| 1
| 100mb
| Gaussian 03
| Hartree-Fock
| 1st
| | H1nih8
| 35165
| mimosa
| -
| 2008-05-01
| 60
| 52
| 1
| 100mb
| Gaussian 03
| Hartree-Fock
| 1st
| | D1a21
| 35162
| mimosa
| -
| 2008-05-05
| 43756
| 41159
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1a24
| 35163
| mimosa
| -
| 2008-05-02
| 9229
| 8426
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1a19
| 35160
| mimosa
| -
| 2008-05-05
| 38284
| 37072
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1tr_dm_1_dz
| 5383
| sweetgum
| 45
| 2008-05-01
| 4539
| 8150
| 4
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui4_2
| 5384
| sweetgum
| 76
| 2008-05-01
| 4923
| 7476
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes
| 35166
| mimosa
| -
| 2008-05-05
| 37654
| 37496
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | X1dGpdG_BHaH
| 35168
| mimosa
| -
| 2008-05-05
| 48122
| 36308
| 4
| 500mb
| Gaussian 03
| Exotic
| 1st
| | D16Be2
| 24148
| redwood
| 62
| 2008-04-30
| 2374
| 1464
| 1
| 2048mb
| Gaussian 03
| Density-Functional
| 1st
| | DX6x4_y4
| 24147
| redwood
| 86
| 2008-04-29
| 133
| 456
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX5x4_0
| 24154
| redwood
| 83
| 2008-04-29
| 31
| 103
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | XXz3
| 5388
| sweetgum
| 85
| 2008-05-01
| 8438
| 28610
| 4
| 1800mb
| Gaussian 03
| Exotic
| none
| | XX0
| 5385
| sweetgum
| 72
| 2008-05-01
| 7816
| 22565
| 4
| 1800mb
| Gaussian 03
| Exotic
| none
| | XXz2
| 5387
| sweetgum
| 75
| 2008-05-01
| 11057
| 33256
| 4
| 1800mb
| Gaussian 03
| Exotic
| none
| | XXz1
| 5386
| sweetgum
| 83
| 2008-05-01
| 9579
| 31671
| 4
| 1800mb
| Gaussian 03
| Exotic
| none
| | XXz4
| 5389
| sweetgum
| 80
| 2008-05-02
| 14958
| 47604
| 4
| 1800mb
| Gaussian 03
| Exotic
| none
| | runmd_8_hce21.g
| 24158
| redwood
| 96
| 2008-05-03
| 21707
| 332680
| 16
| 9216mb
| Unknown
|
|
| | D110edpr
| 35170
| mimosa
| -
| 2008-05-03
| 22758
| 21695
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D13sc41p
| 24160
| redwood
| 99
| 2008-05-05
| 27508
| 27118
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D15v1
| 24161
| redwood
| 96
| 2008-05-03
| 24408
| 23516
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1nn2
| 35171
| mimosa
| -
| 2008-05-07
| 50756
| 49702
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | P1ming4a
| 5393
| sweetgum
| 76
| 2008-05-01
| 8811
| 6673
| 1
| 256mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | P1ming5a
| 5390
| sweetgum
| 81
| 2008-05-01
| 10642
| 8590
| 1
| 256mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | P1ming5b
| 5391
| sweetgum
| 103
| 2008-05-01
| 10641
| 10949
| 1
| 256mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | P1ming4b
| 5392
| sweetgum
| 84
| 2008-05-01
| 11045
| 9307
| 1
| 256mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D1aui6_cc
| 5394
| sweetgum
| 104
| 2008-05-02
| 5056
| 21075
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D2sixtet1_sdd
| 5395
| sweetgum
| 62
| 2008-04-30
| 3477
| 8599
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 2nd
| | D2as23bclr
| 24164
| redwood
| 97
| 2008-05-07
| 51019
| 49697
| 1
| 1900mb
| Gaussian 03
| Density-Functional
| 2nd
| | D15v12pr
| 35174
| mimosa
| -
| 2008-05-01
| 3076
| 2987
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1tr_dm_cc
| 5396
| sweetgum
| 80
| 2008-05-04
| 23615
| 75617
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1c1925g
| 24166
| redwood
| 87
| 2008-05-03
| 24613
| 21423
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | DXcnosublanwat
| 24169
| redwood
| 21
| 2008-05-01
| 3618
| 3034
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | D15v17pr
| 24170
| redwood
| 99
| 2008-05-02
| 7672
| 7611
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | DXcnosublan
| 24168
| redwood
| 22
| 2008-05-01
| 2953
| 2583
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | D1pr21g
| 24167
| redwood
| 89
| 2008-05-01
| 8123
| 7223
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D16Mg
| 5400
| sweetgum
| 42
| 2008-05-01
| 12510
| 10510
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_dz_nosy
| 5401
| sweetgum
| 72
| 2008-05-03
| 10554
| 30247
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D16aMg
| 5399
| sweetgum
| 47
| 2008-05-01
| 12774
| 11881
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | XXhno2-g3
| 5398
| sweetgum
| 74
| 2008-04-30
| 1973
| 1455
| 1
| 400mb
| Gaussian 03
| Exotic
| none
| | D1chloro_tg
| 24174
| redwood
| 45
| 2008-05-01
| 5795
| 10326
| 4
| 3584mb
| Gaussian 03
| Density-Functional
| 1st
| | D1chloro_gng
| 24173
| redwood
| 42
| 2008-04-30
| 6005
| 10088
| 4
| 3584mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes2
| 5402
| sweetgum
| 96
| 2008-05-05
| 42295
| 81292
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | DX2b2-lbs
| 24175
| redwood
| 123
| 2008-05-02
| 1994
| 9818
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | DXr-4-lbs
| 24176
| redwood
| 75
| 2008-05-04
| 7907
| 23573
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | D16Ca
| 5404
| sweetgum
| 45
| 2008-05-02
| 13048
| 11634
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | PX1Namp26311g2
| 24179
| redwood
| 30
| 2008-05-03
| 175
| 106
| 2
| 3000mb
| Gaussian 03
| Many-body Perturbative
| none
| | PX1kmp26311g2d
| 24181
| redwood
| 67
| 2008-05-03
| 1144
| 1527
| 2
| 3000mb
| Gaussian 03
| Many-body Perturbative
| none
| | D16aMg
| 24178
| redwood
| 48
| 2008-05-04
| 11355
| 10977
| 2
| 3000mb
| Gaussian 03
| Density-Functional
| 1st
| | PXMG76_631MP-E
| 24182
| redwood
| 26
| 2008-05-09
| 2182
| 2293
| 4
| 3584mb
| Gaussian 03
| Many-body Perturbative
| none
| | D1ticl3_8lin_6
| 35188
| mimosa
| -
| 2008-05-02
| 10667
| 8885
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | H1ni_t8
| 24189
| redwood
| 56
| 2008-05-01
| 3700
| 2065
| 1
| 200mb
| Gaussian 03
| Hartree-Fock
| 1st
| | X1aui4_cis
| 5421
| sweetgum
| 55
| 2008-05-01
| 5621
| 6164
| 2
| 900mb
| Gaussian 03
| Exotic
| 1st
| | D1aui4_dz
| 5420
| sweetgum
| 29
| 2008-05-01
| 2397
| 1372
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | I1aui4_cisd
| 5422
| sweetgum
| 19
| 2008-05-04
| 23692
| 9049
| 2
| 900mb
| Gaussian 03
| Configuration Interaction
| 1st
| | D1dms-p
| 35190
| mimosa
| -
| 2008-05-03
| 5675
| 5505
| 1
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1dme4cunn
| 35191
| mimosa
| -
| 2008-05-06
| 33853
| 33279
| 1
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1dme-p
| 35189
| mimosa
| -
| 2008-05-03
| 4439
| 4242
| 1
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | DX5x4_z4
| 24192
| redwood
| 97
| 2008-05-01
| 290
| 1130
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | D1Ag25l2dz
| 24191
| redwood
| 72
| 2008-05-03
| 17811
| 51299
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes-32
| 35197
| mimosa
| -
| 2008-05-01
| 2220
| 1351
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes-2
| 35195
| mimosa
| -
| 2008-05-01
| 4770
| 3009
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes-31
| 35196
| mimosa
| -
| 2008-05-05
| 35268
| 33352
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | DXc3
| 35198
| mimosa
| -
| 2008-05-02
| 10926
| 11806
| 2
| 900mb
| Gaussian 03
| Density-Functional
| none
| | DX1NNVESACN
| 5424
| sweetgum
| 56
| 2008-05-02
| 6838
| 7610
| 2
| 700mb
| Gaussian 03
| Density-Functional
| none
| | D1si14d2dKr
| 24194
| redwood
| 23
| 2008-05-05
| 3995
| 3621
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | DXaui4_sdd_adm
| 35200
| mimosa
| -
| 2008-05-02
| 9569
| 8954
| 2
| 900mb
| Gaussian 03
| Density-Functional
| none
| | DXc2
| 35199
| mimosa
| -
| 2008-05-04
| 26388
| 25440
| 2
| 800mb
| Gaussian 03
| Density-Functional
| none
| | D1si15fkHeBP86
| 24195
| redwood
| 21
| 2008-05-05
| 3819
| 3230
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui4_1_dz
| 5426
| sweetgum
| 84
| 2008-05-01
| 396
| 666
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | X1aui4_1_cis
| 5427
| sweetgum
| 30
| 2008-05-02
| 7716
| 4637
| 2
| 900mb
| Gaussian 03
| Exotic
| 1st
| | D1tr_dm_dz
| 5425
| sweetgum
| 67
| 2008-05-02
| 5058
| 13477
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1si16d4dArim
| 35204
| mimosa
| -
| 2008-05-04
| 20606
| 18379
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Si18D3dHeim
| 35205
| mimosa
| -
| 2008-05-04
| 22734
| 19726
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1si16FKAr
| 35206
| mimosa
| -
| 2008-05-05
| 33843
| 33414
| 2
| 500mb
| Gaussian 03
| Density-Functional
| 1st
| | D1si14d4hAr
| 35207
| mimosa
| -
| 2008-05-05
| 33070
| 30484
| 2
| 500mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes35
| 35214
| mimosa
| -
| 2008-05-04
| 15993
| 12504
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes34
| 35213
| mimosa
| -
| 2008-05-03
| 6659
| 7898
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes-2
| 35208
| mimosa
| -
| 2008-05-02
| 3815
| 2245
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes32
| 35209
| mimosa
| -
| 2008-05-02
| 3219
| 4545
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes30
| 35215
| mimosa
| -
| 2008-05-03
| 13690
| 11500
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes33
| 35212
| mimosa
| -
| 2008-05-03
| 9091
| 9172
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes-5
| 35211
| mimosa
| -
| 2008-05-02
| 1134
| 3307
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes-4
| 35210
| mimosa
| -
| 2008-05-02
| 3176
| 2567
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D15vipcm
| 35217
| mimosa
| -
| 2008-05-04
| 27993
| 25741
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1pr2pcm
| 35220
| mimosa
| -
| 2008-05-04
| 7881
| 7329
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1c2pcm
| 35218
| mimosa
| -
| 2008-05-02
| 1163
| 4232
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1i2pcm
| 35219
| mimosa
| -
| 2008-05-02
| 3293
| 3158
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | P1zw_ts_pcm
| 24200
| redwood
| 60
| 2008-05-03
| 17476
| 10571
| 1
| 1000mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | P2ming5b
| 5430
| sweetgum
| 82
| 2008-05-03
| 17064
| 13984
| 1
| 256mb
| Gaussian 03
| Many-body Perturbative
| 2nd
| | P1ming4b
| 5431
| sweetgum
| 53
| 2008-05-03
| 12247
| 6500
| 1
| 256mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D1cscl
| 35222
| mimosa
| -
| 2008-05-03
| 9434
| 9189
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D2a8_cc
| 5432
| sweetgum
| 77
| 2008-05-03
| 9171
| 28155
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 2nd
| | D2tr_dm_dz
| 5434
| sweetgum
| 46
| 2008-05-02
| 2524
| 4676
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 2nd
| | D2aui7_1
| 5433
| sweetgum
| 52
| 2008-05-02
| 4140
| 8610
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 2nd
| | XX141
| 24203
| redwood
| 39
| 2008-05-02
| 4040
| 6261
| 4
| 3584mb
| Gaussian 03
| Exotic
| none
| | XX140
| 24204
| redwood
| 35
| 2008-05-03
| 2180
| 3070
| 4
| 3584mb
| Gaussian 03
| Exotic
| none
| | XX143
| 24201
| redwood
| 49
| 2008-05-02
| 4267
| 8381
| 4
| 3584mb
| Gaussian 03
| Exotic
| none
| | XX142
| 24202
| redwood
| 52
| 2008-05-02
| 2755
| 5735
| 4
| 3584mb
| Gaussian 03
| Exotic
| none
| | D1aui6_cc
| 5435
| sweetgum
| 87
| 2008-05-05
| 29750
| 103946
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1c2pcm1
| 35225
| mimosa
| -
| 2008-05-03
| 1019
| 960
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D15vpcm2
| 35226
| mimosa
| -
| 2008-05-04
| 4461
| 4276
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | DXaui7_1
| 5443
| sweetgum
| 40
| 2008-05-04
| 6665
| 10748
| 4
| 900mb
| Gaussian 03
| Density-Functional
| none
| | XXmer_g3m
| 5437
| sweetgum
| 15
| 2008-05-02
| 2944
| 454
| 1
| 400mb
| Gaussian 03
| Exotic
| none
| | PXmer_g3mb
| 5438
| sweetgum
| 15
| 2008-05-02
| 2925
| 447
| 1
| 400mb
| Gaussian 03
| Many-body Perturbative
| none
| | XXmer_g33
| 5439
| sweetgum
| 12
| 2008-05-02
| 2762
| 327
| 1
| 400mb
| Gaussian 03
| Exotic
| none
| | XXmer_g2
| 5436
| sweetgum
| 15
| 2008-05-02
| 2978
| 436
| 1
| 400mb
| Gaussian 03
| Exotic
| none
| | P1aui4_mp2
| 5440
| sweetgum
| 41
| 2008-05-03
| 2632
| 4271
| 4
| 900mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D11NN_Opt_Freq
| 5442
| sweetgum
| 85
| 2008-05-03
| 11932
| 20392
| 2
| 700mb
| Gaussian 03
| Density-Functional
| 1st
| | D1G10AU-STG
| 24207
| redwood
| 73
| 2008-05-03
| 14230
| 41740
| 4
| 3584mb
| Gaussian 03
| Density-Functional
| 1st
| | D1GE8AU-STG
| 24208
| redwood
| 78
| 2008-05-05
| 10014
| 31357
| 4
| 3584mb
| Gaussian 03
| Density-Functional
| 1st
| | XXmer_cbs_qb3
| 5445
| sweetgum
| 41
| 2008-05-02
| 486
| 200
| 1
| 400mb
| Gaussian 03
| Exotic
| none
| | D2sixtet2_sdd
| 5446
| sweetgum
| 50
| 2008-05-03
| 4532
| 9104
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 2nd
| | D11a1pes-4
| 35229
| mimosa
| -
| 2008-05-04
| 1388
| 827
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | IMPACT_NL66_NEW
| 35231
| mimosa
| -
| 2008-05-04
| 13317
| 13223
| 1
| 1gb
| Gaussian 03
| Configuration Interaction
|
| | DXaui4_sdd_adm
| 35228
| mimosa
| -
| 2008-05-05
| 20456
| 18434
| 2
| 900mb
| Gaussian 03
| Density-Functional
| none
| | D11a1pes-2
| 35230
| mimosa
| -
| 2008-05-05
| 12147
| 13377
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_3
| 5450
| sweetgum
| 21
| 2008-05-03
| 7127
| 5875
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_2
| 5447
| sweetgum
| 208
| 2008-05-03
| 451
| 3747
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D12ec31o
| 24219
| redwood
| 100
| 2008-05-05
| 24579
| 24541
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D12ec31
| 24218
| redwood
| 90
| 2008-05-06
| 28648
| 25888
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D12e31
| 24216
| redwood
| 87
| 2008-05-06
| 30011
| 25970
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes-3
| 24217
| redwood
| 60
| 2008-05-05
| 15767
| 37761
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | bl35510510.pbs
| 35232
| mimosa
| -
| 2008-05-04
| 14983
| 14857
| 1
| 1gb
| Unknown
|
|
| | D1ticl3_16cyc
| 35234
| mimosa
| -
| 2008-05-06
| 21235
| 19611
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | X1aaa_dz
| 5451
| sweetgum
| 45
| 2008-05-05
| 14993
| 26977
| 4
| 1800mb
| Gaussian 03
| Exotic
| 1st
| | D1aui6_5
| 5454
| sweetgum
| 23
| 2008-05-03
| 3484
| 3169
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Au25l2dzecp
| 5455
| sweetgum
| 92
| 2008-05-05
| 28161
| 103704
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Au25l2dzecp
| 24220
| redwood
| 72
| 2008-05-07
| 39239
| 112454
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | DX5x4_z2
| 24222
| redwood
| 17
| 2008-05-03
| 4938
| 3409
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX5x4_z1
| 24223
| redwood
| 32
| 2008-05-03
| 4190
| 5304
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX5x4_z3
| 24221
| redwood
| 25
| 2008-05-03
| 4194
| 4140
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX5x4_0
| 24224
| redwood
| 39
| 2008-05-03
| 1919
| 2987
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | H1pdh6
| 35243
| mimosa
| -
| 2008-05-03
| 60
| 31
| 1
| 100mb
| Gaussian 03
| Hartree-Fock
| 1st
| | H1feh2_t10
| 35242
| mimosa
| -
| 2008-05-06
| 31042
| 33273
| 1
| 100mb
| Gaussian 03
| Hartree-Fock
| 1st
| | D15n46pr
| 5457
| sweetgum
| 22
| 2008-05-07
| 40932
| 35909
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D15n67i
| 5458
| sweetgum
| 23
| 2008-05-05
| 21104
| 19789
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D15n67pr
| 5459
| sweetgum
| 26
| 2008-05-06
| 29612
| 30776
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | H1nih6_t12
| 24226
| redwood
| 87
| 2008-05-05
| 18733
| 16381
| 1
| 200mb
| Gaussian 03
| Hartree-Fock
| 1st
| | H1pth6_t12
| 24225
| redwood
| 89
| 2008-05-04
| 16860
| 15011
| 1
| 200mb
| Gaussian 03
| Hartree-Fock
| 1st
| | D1rbcl
| 35245
| mimosa
| -
| 2008-05-06
| 30026
| 29188
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1cscl
| 35246
| mimosa
| -
| 2008-05-06
| 29764
| 29010
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | E16dQST3-06
| 35248
| mimosa
| -
| 2008-05-05
| 8133
| 7934
| 2
| 1mb
| Gaussian 03
| Empirical
| 1st
| | E16dQST3-04
| 35247
| mimosa
| -
| 2008-05-05
| 8762
| 8521
| 2
| 1mb
| Gaussian 03
| Empirical
| 1st
| | D15n67b
| 24227
| redwood
| 78
| 2008-05-06
| 14335
| 11207
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1ticl3_14cyc
| 5461
| sweetgum
| 87
| 2008-05-08
| 40232
| 139937
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_2_sdd
| 5462
| sweetgum
| 76
| 2008-05-03
| 1841
| 5562
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D110edpr
| 35249
| mimosa
| -
| 2008-05-04
| 5534
| 5281
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | XXBFBFB_bhtd
| 24229
| redwood
| 54
| 2008-05-05
| 16569
| 35646
| 4
| 3400mb
| Gaussian 03
| Exotic
| none
| | D1Ag25l2dzecp
| 24230
| redwood
| 76
| 2008-05-03
| 1170
| 3560
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | DX5x4_z4
| 24232
| redwood
| 19
| 2008-05-04
| 10113
| 7801
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX1kb3lyp6311g
| 5464
| sweetgum
| 16
| 2008-05-03
| 490
| 309
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| none
| | XXFBFBF_bhtd
| 24236
| redwood
| 56
| 2008-05-07
| 23290
| 52377
| 4
| 3400mb
| Gaussian 03
| Exotic
| none
| | D11a1pes33
| 35257
| mimosa
| -
| 2008-05-05
| 3186
| 2711
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes32
| 35254
| mimosa
| -
| 2008-05-06
| 13355
| 12126
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11b1pes
| 35255
| mimosa
| -
| 2008-05-05
| 6100
| 5489
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes30
| 35256
| mimosa
| -
| 2008-05-06
| 8551
| 8244
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes-5
| 35253
| mimosa
| -
| 2008-05-05
| 13430
| 11083
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes34
| 35258
| mimosa
| -
| 2008-05-06
| 8279
| 8641
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | DX1a1lbs
| 24237
| redwood
| 68
| 2008-05-06
| 3601
| 9813
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | P1CGONM-mpO
| 24239
| redwood
| 27
| 2008-05-08
| 29375
| 32104
| 4
| 3584mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D1aui3_2_cc
| 5466
| sweetgum
| 83
| 2008-05-05
| 10289
| 34061
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | P1aui4_mp2
| 5465
| sweetgum
| 25
| 2008-05-04
| 2521
| 2528
| 4
| 900mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D1Ag15
| 24240
| redwood
| 86
| 2008-05-04
| 6640
| 22958
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | PXz3
| 5476
| sweetgum
| 80
| 2008-05-05
| 13020
| 41639
| 4
| 1800mb
| Gaussian 03
| Many-body Perturbative
| none
| | PX0
| 5479
| sweetgum
| 82
| 2008-05-06
| 12015
| 39646
| 4
| 1800mb
| Gaussian 03
| Many-body Perturbative
| none
| | PXz2
| 5477
| sweetgum
| 82
| 2008-05-06
| 16204
| 53219
| 4
| 1800mb
| Gaussian 03
| Many-body Perturbative
| none
| | PXz4
| 5475
| sweetgum
| 84
| 2008-05-05
| 15866
| 53351
| 4
| 1800mb
| Gaussian 03
| Many-body Perturbative
| none
| | PXz1
| 5478
| sweetgum
| 79
| 2008-05-06
| 15684
| 49677
| 4
| 1800mb
| Gaussian 03
| Many-body Perturbative
| none
| | D1pr2pcm
| 35271
| mimosa
| -
| 2008-05-06
| 7555
| 7217
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D15vpcm3
| 35274
| mimosa
| -
| 2008-05-05
| 6630
| 6507
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1a8_cyc_1
| 35277
| mimosa
| -
| 2008-05-04
| 2965
| 2484
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_2_nosym
| 5483
| sweetgum
| 81
| 2008-05-06
| 13006
| 42197
| 4
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_dz_nosy
| 5482
| sweetgum
| 81
| 2008-05-05
| 10942
| 35421
| 4
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | I1aui4_cisd_r
| 5485
| sweetgum
| 23
| 2008-05-06
| 10574
| 9637
| 4
| 1800mb
| Gaussian 03
| Configuration Interaction
| 1st
| | D1aui6_6
| 5484
| sweetgum
| 47
| 2008-05-04
| 2692
| 5028
| 4
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1tr_dm_cc
| 5487
| sweetgum
| 88
| 2008-05-09
| 41560
| 145871
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_7
| 5486
| sweetgum
| 39
| 2008-05-05
| 6970
| 10776
| 4
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1t_16cyc
| 35279
| mimosa
| -
| 2008-05-06
| 18005
| 18895
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DXc2
| 35283
| mimosa
| -
| 2008-05-07
| 17796
| 17949
| 2
| 800mb
| Gaussian 03
| Density-Functional
| none
| | P2aui6_sdd_mp2
| 5492
| sweetgum
| 80
| 2008-05-06
| 8685
| 27700
| 4
| 1800mb
| Gaussian 03
| Many-body Perturbative
| 2nd
| | D1aui3_2_cc
| 5493
| sweetgum
| 49
| 2008-05-05
| 2011
| 3929
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D25vipcm
| 35284
| mimosa
| -
| 2008-05-05
| 5558
| 5389
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 2nd
| | DXVES_from_Peo
| 5494
| sweetgum
| 69
| 2008-05-05
| 4334
| 5948
| 2
| 700mb
| Gaussian 03
| Density-Functional
| none
| | P1aui4_mp2
| 5495
| sweetgum
| 32
| 2008-05-05
| 2535
| 3263
| 4
| 900mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D1aui3_2_cc
| 5496
| sweetgum
| 63
| 2008-05-06
| 9537
| 24004
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | bl35510714.pbs
| 35293
| mimosa
| -
| 2008-05-07
| 14549
| 14432
| 1
| 1gb
| Unknown
|
|
| | bl51035510.pbs
| 35296
| mimosa
| -
| 2008-05-07
| 19432
| 19284
| 1
| 1gb
| Unknown
|
|
| | bl3535510.pbs
| 35291
| mimosa
| -
| 2008-05-07
| 14855
| 14740
| 1
| 1gb
| Unknown
|
|
| | bl35714510.pbs
| 35294
| mimosa
| -
| 2008-05-07
| 14528
| 14400
| 1
| 1gb
| Unknown
|
|
| | bl5103535.pbs
| 35295
| mimosa
| -
| 2008-05-07
| 15922
| 15827
| 1
| 1gb
| Unknown
|
|
| | bl3551035.pbs
| 35292
| mimosa
| -
| 2008-05-07
| 14755
| 14638
| 1
| 1gb
| Unknown
|
|
| | DXVES_1NN_S1_C
| 5504
| sweetgum
| 103
| 2008-05-05
| 4489
| 9249
| 2
| 700mb
| Gaussian 03
| Density-Functional
| none
| | DXVES_1NN_S2_A
| 5506
| sweetgum
| 84
| 2008-05-05
| 4216
| 7046
| 2
| 700mb
| Gaussian 03
| Density-Functional
| none
| | 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
| Densit |
|
