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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
-------------------------------------------------------------------------------------------------
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 1000 jobs finished at MCSR. View last 100 | 250 | 500 jobs.
|
| Job Name |
Job ID |
System |
Efcy |
End |
WT |
CT |
CU |
RM |
App |
Theoretical Method |
OD | | D12n10c
| 34876
| mimosa
| -
| 2008-04-23
| 5842
| 8899
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D2c10cf
| 5175
| sweetgum
| 30
| 2008-04-23
| 11039
| 13246
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 2nd
| | D12n10cs
| 34877
| mimosa
| -
| 2008-04-24
| 18957
| 18033
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | DX3Cabsse
| 34884
| mimosa
| -
| 2008-04-22
| 519
| 509
| 1
| 400mb
| Gaussian 03
| Density-Functional
| none
| | DX3Bebsse
| 34882
| mimosa
| -
| 2008-04-22
| 1716
| 1709
| 1
| 400mb
| Gaussian 03
| Density-Functional
| none
| | C1cpd10bccsddf
| 34885
| mimosa
| -
| 2008-04-23
| 10629
| 5694
| 1
| 380mb
| Gaussian 03
| Coupled Cluster
| 1st
| | H1aui_cyc_rhf
| 5183
| sweetgum
| 96
| 2008-04-29
| 48996
| 188853
| 4
| 900mb
| Gaussian 03
| Hartree-Fock
| 1st
| | H1aaa_sdd_rhf
| 5189
| sweetgum
| 66
| 2008-04-24
| 9635
| 25390
| 4
| 400mb
| Gaussian 03
| Hartree-Fock
| 1st
| | D1Lin6a
| 34888
| mimosa
| -
| 2008-04-26
| 27889
| 27153
| 1
| 200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Lin6c
| 34887
| mimosa
| -
| 2008-04-27
| 46572
| 45793
| 1
| 200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Lin6b
| 34886
| mimosa
| -
| 2008-04-23
| 13445
| 13097
| 1
| 200mb
| Gaussian 03
| Density-Functional
| 1st
| | P1aui6_dz_mp2
| 5190
| sweetgum
| 90
| 2008-04-29
| 47275
| 169681
| 4
| 1800mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D1s-vd3a
| 34894
| mimosa
| -
| 2008-04-23
| 3961
| 3519
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | E1s-vd3b
| 34893
| mimosa
| -
| 2008-04-23
| 4300
| 3713
| 2
| 400mb
| Gaussian 03
| Empirical
| 1st
| | P1ts1_m2
| 5205
| sweetgum
| 88
| 2008-04-23
| 10952
| 9639
| 1
| 400mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | H1ts2_s1
| 5200
| sweetgum
| 95
| 2008-04-22
| 1316
| 1255
| 1
| 400mb
| Gaussian 03
| Hartree-Fock
| 1st
| | H1ts2_s2
| 5204
| sweetgum
| 88
| 2008-04-22
| 1716
| 1514
| 1
| 400mb
| Gaussian 03
| Hartree-Fock
| 1st
| | D16Be2
| 5207
| sweetgum
| 47
| 2008-04-23
| 7840
| 7293
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | P1ts2_m1
| 5202
| sweetgum
| 102
| 2008-04-23
| 5940
| 6042
| 1
| 400mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | H1ts1_s2
| 5203
| sweetgum
| 99
| 2008-04-22
| 1004
| 992
| 1
| 400mb
| Gaussian 03
| Hartree-Fock
| 1st
| | P1ts2_m2
| 5206
| sweetgum
| 98
| 2008-04-24
| 13119
| 12832
| 1
| 400mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | H1ts1_s1
| 5199
| sweetgum
| 98
| 2008-04-22
| 3350
| 3293
| 1
| 400mb
| Gaussian 03
| Hartree-Fock
| 1st
| | P1ts1_m1
| 5201
| sweetgum
| 97
| 2008-04-24
| 15173
| 14659
| 1
| 400mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | X1BFBFB_bh
| 24003
| redwood
| 19
| 2008-05-03
| 59148
| 44125
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | E1o1a
| 24000
| redwood
| 41
| 2008-04-29
| 28556
| 46522
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| | X1T_BFBFB_bh
| 24007
| redwood
| 59
| 2008-05-03
| 22041
| 51922
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | E1o2a
| 24001
| redwood
| 34
| 2008-05-03
| 63944
| 87590
| 4
| 3200mb
| Gaussian 03
| Empirical
| 1st
| | D16Be2
| 23999
| redwood
| 88
| 2008-04-24
| 10518
| 9248
| 1
| 2048mb
| Gaussian 03
| Density-Functional
| 1st
| | P13ali
| 24002
| redwood
| 71
| 2008-04-24
| 12333
| 8743
| 1
| 2048mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | X1FBFBF_bh
| 24005
| redwood
| 19
| 2008-05-08
| 2400
| 1857
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | X1T_FBFBF_bh
| 24004
| redwood
| 67
| 2008-04-29
| 30128
| 80561
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | D1drcprc
| 5208
| sweetgum
| 25
| 2008-04-27
| 37883
| 37823
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aspacid1
| 24008
| redwood
| 98
| 2008-04-22
| 3266
| 3201
| 1
| 1024mb
| Gaussian 03
| Density-Functional
| 1st
| | PXct2-omps
| 24011
| redwood
| 19
| 2008-04-25
| 7769
| 5838
| 4
| 3200mb
| Gaussian 03
| Many-body Perturbative
| none
| | PXct1-omps1
| 24013
| redwood
| 83
| 2008-04-25
| 654
| 2170
| 4
| 3200mb
| Gaussian 03
| Many-body Perturbative
| none
| | PXct3-omps
| 24009
| redwood
| 25
| 2008-04-25
| 9178
| 9238
| 4
| 3200mb
| Gaussian 03
| Many-body Perturbative
| none
| | bl51051035.pbs
| 34897
| mimosa
| -
| 2008-04-22
| 4187
| 4158
| 1
| 1gb
| Unknown
|
|
| | bl510714510.pbs
| 34901
| mimosa
| -
| 2008-04-23
| 4366
| 4336
| 1
| 1gb
| Unknown
|
|
| | bl510510714.pbs
| 34899
| mimosa
| -
| 2008-04-22
| 4278
| 4262
| 1
| 1gb
| Unknown
|
|
| | D1drc10t
| 34896
| mimosa
| -
| 2008-04-23
| 4236
| 3977
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | bl51071435.pbs
| 34900
| mimosa
| -
| 2008-04-22
| 4277
| 4262
| 1
| 1gb
| Unknown
|
|
| | bl510510510.pbs
| 34898
| mimosa
| -
| 2008-04-22
| 4297
| 4279
| 1
| 1gb
| Unknown
|
|
| | bl510714714.pbs
| 34902
| mimosa
| -
| 2008-04-23
| 4017
| 4005
| 1
| 1gb
| Unknown
|
|
| | HXaa3_dz
| 5209
| sweetgum
| 64
| 2008-04-24
| 14072
| 36237
| 4
| 1800mb
| Gaussian 03
| Hartree-Fock
| none
| | D1a1l-dm
| 24017
| redwood
| 47
| 2008-04-24
| 8258
| 15560
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D13sc31p
| 24015
| redwood
| 103
| 2008-04-30
| 25974
| 26776
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | PXc-oamps1
| 24016
| redwood
| 89
| 2008-04-23
| 170
| 604
| 4
| 3200mb
| Gaussian 03
| Many-body Perturbative
| none
| | DXa1onm-bsse
| 34903
| mimosa
| -
| 2008-04-26
| 28363
| 27523
| 1
| 400mb
| Gaussian 03
| Density-Functional
| none
| | D1chloro_es1
| 24018
| redwood
| 17
| 2008-04-22
| 2406
| 1629
| 4
| 3584mb
| Gaussian 03
| Density-Functional
| 1st
| | D1chloro_es2
| 24020
| redwood
| 79
| 2008-04-23
| 5226
| 16586
| 4
| 3584mb
| Gaussian 03
| Density-Functional
| 1st
| | D1chloro_es4
| 24022
| redwood
| 82
| 2008-04-23
| 3174
| 10439
| 4
| 3584mb
| Gaussian 03
| Density-Functional
| 1st
| | D1chloro_es3
| 24021
| redwood
| 75
| 2008-04-24
| 6307
| 18944
| 4
| 3584mb
| Gaussian 03
| Density-Functional
| 1st
| | C1FA3CCSD6312P
| 34906
| mimosa
| -
| 2008-04-23
| 400
| 382
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | D1tetmerdftzma
| 24025
| redwood
| 57
| 2008-05-12
| 846
| 483
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | PXMG76_631MP-E
| 24026
| redwood
| 67
| 2008-04-24
| 6146
| 16357
| 4
| 3584mb
| Gaussian 03
| Many-body Perturbative
| none
| | P1MG76_CSD
| 24027
| redwood
| 35
| 2008-05-06
| 106632
| 149002
| 4
| 3584mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D1o1a
| 34915
| mimosa
| -
| 2008-04-23
| 5651
| 5170
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1o2a
| 34916
| mimosa
| -
| 2008-04-23
| 5490
| 4740
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | P1an1-n-na
| 24031
| redwood
| 49
| 2008-04-27
| 37826
| 18435
| 1
| 1024mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | P1an1-n
| 24029
| redwood
| 45
| 2008-04-27
| 34988
| 15707
| 1
| 1024mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | P1an1-n-li
| 24030
| redwood
| 50
| 2008-04-27
| 33471
| 16810
| 1
| 1024mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | P1an1-n-k
| 24032
| redwood
| 50
| 2008-04-28
| 42128
| 21087
| 1
| 1024mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D1ticl3_12cyc
| 34921
| mimosa
| -
| 2008-04-23
| 395
| 23
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | P1hgo3-mp2-c2v
| 24034
| redwood
| 31
| 2008-04-26
| 4714
| 5878
| 4
| 3500mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | P1hgo3-mp2-c2v
| 24033
| redwood
| 23
| 2008-04-26
| 2832
| 2619
| 4
| 3500mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D1water31
| 34924
| mimosa
| -
| 2008-04-24
| 5279
| 5119
| 1
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1water21
| 34922
| mimosa
| -
| 2008-04-24
| 3370
| 3224
| 1
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | H1aaa_dz_rhf
| 5211
| sweetgum
| 78
| 2008-04-23
| 6274
| 9738
| 2
| 400mb
| Gaussian 03
| Hartree-Fock
| 1st
| | D2dmspyran
| 24035
| redwood
| 93
| 2008-04-25
| 19478
| 18196
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 2nd
| | DXSb2O3_2aLa
| 34930
| mimosa
| -
| 2008-04-23
| 10
| 10
| 1
| 400mb
| Gaussian 03
| Density-Functional
| none
| | X1aa_dz
| 5212
| sweetgum
| 76
| 2008-04-24
| 7008
| 10649
| 2
| 900mb
| Gaussian 03
| Exotic
| 1st
| | D1ticl3_14cyc
| 5213
| sweetgum
| 73
| 2008-04-25
| 16733
| 48618
| 4
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1ticl3_12cyc
| 34933
| mimosa
| -
| 2008-04-23
| 5237
| 4746
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1ticl3_16cyc
| 5214
| sweetgum
| 88
| 2008-04-24
| 5433
| 19060
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1s-vd3c
| 34939
| mimosa
| -
| 2008-04-23
| 159
| 6
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11ame
| 24037
| redwood
| 60
| 2008-04-27
| 10770
| 25974
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | XXDIM_4_TD
| 24036
| redwood
| 33
| 2008-05-08
| 2386
| 3189
| 4
| 3400mb
| Gaussian 03
| Exotic
| none
| | bl7143535.pbs
| 34940
| mimosa
| -
| 2008-04-23
| 4237
| 4220
| 1
| 1gb
| Unknown
|
|
| | bl71435510.pbs
| 34941
| mimosa
| -
| 2008-04-23
| 4156
| 4139
| 1
| 1gb
| Unknown
|
|
| | H1ay_s1
| 5219
| sweetgum
| 71
| 2008-04-23
| 2102
| 1493
| 1
| 400mb
| Gaussian 03
| Hartree-Fock
| 1st
| | D1aui6
| 5215
| sweetgum
| 65
| 2008-04-24
| 6265
| 8143
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_sdd
| 5216
| sweetgum
| 74
| 2008-04-24
| 3945
| 11665
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | P1ax_m1
| 5218
| sweetgum
| 181
| 2008-04-23
| 2129
| 3843
| 1
| 400mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | DX8x4_y1
| 24039
| redwood
| 24
| 2008-04-25
| 2176
| 2051
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX8x4_y2
| 24041
| redwood
| 98
| 2008-04-25
| 844
| 3296
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX8x4_0
| 24038
| redwood
| 19
| 2008-04-24
| 2039
| 1520
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX8x4_y3
| 24042
| redwood
| 93
| 2008-04-25
| 1232
| 4578
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | bl714510714.pbs
| 34945
| mimosa
| -
| 2008-04-23
| 4044
| 4029
| 1
| 1gb
| Unknown
|
|
| | bl714510510.pbs
| 34944
| mimosa
| -
| 2008-04-23
| 4245
| 4228
| 1
| 1gb
| Unknown
|
|
| | bl71435714.pbs
| 34946
| mimosa
| -
| 2008-04-23
| 4033
| 4019
| 1
| 1gb
| Unknown
|
|
| | bl71451035.pbs
| 34943
| mimosa
| -
| 2008-04-23
| 4145
| 4129
| 1
| 1gb
| Unknown
|
|
| | H1hno2_t1
| 5221
| sweetgum
| 46
| 2008-04-23
| 1073
| 495
| 1
| 400mb
| Gaussian 03
| Hartree-Fock
| 1st
| | P1ay_m1
| 5220
| sweetgum
| 83
| 2008-04-24
| 4654
| 3848
| 1
| 400mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D11k
| 5223
| sweetgum
| 77
| 2008-04-23
| 1550
| 1201
| 1
| 200mb
| Gaussian 03
| Density-Functional
| 1st
| | H1hno2_c1
| 5222
| sweetgum
| 59
| 2008-04-23
| 2103
| 1237
| 1
| 400mb
| Gaussian 03
| Hartree-Fock
| 1st
| | D1o1a
| 34952
| mimosa
| -
| 2008-04-24
| 3144
| 5862
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1s-vd3a
| 34955
| mimosa
| -
| 2008-04-30
| 53583
| 34788
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1s-vd3c
| 34957
| mimosa
| -
| 2008-04-30
| 63814
| 43919
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | H1megat8
| 24045
| redwood
| 93
| 2008-05-02
| 77494
| 72063
| 1
| 200mb
| Gaussian 03
| Hartree-Fock
| 1st
| | dnapolsol.pbs
| 24044
| redwood
| 50
| 2008-04-23
| 2404
| 2392
| 2
| 1gb
| Unknown
|
|
| | DXV2O3_2aLn
| 34967
| mimosa
| -
| 2008-04-26
| 996
| 987
| 1
| 400mb
| Gaussian 03
| Density-Functional
| none
| | bl714714714.pbs
| 34971
| mimosa
| -
| 2008-04-24
| 2576
| 2560
| 1
| 1gb
| Unknown
|
|
| | bl714714510.pbs
| 34970
| mimosa
| -
| 2008-04-24
| 2556
| 2542
| 1
| 1gb
| Unknown
|
|
| | bl71471435.pbs
| 34969
| mimosa
| -
| 2008-04-24
| 2556
| 2531
| 1
| 1gb
| Unknown
|
|
| | lgbl35510714.pb
| 34972
| mimosa
| -
| 2008-04-24
| 2856
| 2839
| 1
| 1gb
| Unknown
|
|
| | D1lala
| 34977
| mimosa
| -
| 2008-04-28
| 36323
| 34758
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1cscl
| 34976
| mimosa
| -
| 2008-04-24
| 1011
| 986
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1rbcl
| 34979
| mimosa
| -
| 2008-04-28
| 39172
| 41157
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DXc2
| 34978
| mimosa
| -
| 2008-04-25
| 11839
| 12714
| 2
| 800mb
| Gaussian 03
| Density-Functional
| none
| | D2ticl3_12cyc
| 34975
| mimosa
| -
| 2008-04-24
| 6498
| 5601
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 2nd
| | D2aui6
| 5224
| sweetgum
| 15
| 2008-04-24
| 4981
| 1541
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 2nd
| | D1aui6_sdd
| 5225
| sweetgum
| 44
| 2008-04-26
| 26084
| 45408
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | X1AT_0w
| 34981
| mimosa
| -
| 2008-04-25
| 13620
| 13245
| 4
| 500mb
| Gaussian 03
| Exotic
| 1st
| | D1ticl3_16cyc
| 34980
| mimosa
| -
| 2008-04-25
| 11140
| 12567
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | X1GC_GC_BHaH
| 34984
| mimosa
| -
| 2008-05-07
| 115772
| 115309
| 4
| 800mb
| Gaussian 03
| Exotic
| 1st
| | X1dCpdCr
| 34983
| mimosa
| -
| 2008-05-01
| 64379
| 60922
| 4
| 500mb
| Gaussian 03
| Exotic
| 1st
| | D1ticl3_16cyc
| 5228
| sweetgum
| 36
| 2008-04-24
| 5271
| 7515
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | H2aaa_sdd_rhf
| 5230
| sweetgum
| 40
| 2008-04-25
| 9341
| 14998
| 4
| 400mb
| Gaussian 03
| Hartree-Fock
| 2nd
| | D1aui6
| 5231
| sweetgum
| 24
| 2008-04-24
| 2451
| 2308
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DXca1_min1
| 34985
| mimosa
| -
| 2008-04-27
| 29446
| 28362
| 2
| 800mb
| Gaussian 03
| Density-Functional
| none
| | X1aa1_dz
| 5233
| sweetgum
| 75
| 2008-04-25
| 6012
| 18138
| 4
| 1600mb
| Gaussian 03
| Exotic
| 1st
| | HXaa4_dz
| 5232
| sweetgum
| 13
| 2008-04-24
| 2598
| 1301
| 4
| 1800mb
| Gaussian 03
| Hartree-Fock
| none
| | D1aui6
| 5235
| sweetgum
| 255
| 2008-04-24
| 757
| 1933
| 1
| 256mb
| Gaussian 03
| Density-Functional
| 1st
| | HXaa2_dz
| 5234
| sweetgum
| 28
| 2008-04-24
| 3332
| 3688
| 4
| 1800mb
| Gaussian 03
| Hartree-Fock
| none
| | D1ticl3_16cyc
| 5236
| sweetgum
| 46
| 2008-04-24
| 4353
| 8035
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DXa_3GC_SPT6_V
| 24051
| redwood
| 25
| 2008-04-25
| 1660
| 1658
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | D1o1a
| 34988
| mimosa
| -
| 2008-04-24
| 6114
| 4947
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1r-vd3a
| 34991
| mimosa
| -
| 2008-04-25
| 2455
| 2125
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1s-vd3b
| 34990
| mimosa
| -
| 2008-05-01
| 53264
| 33413
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Cd3Se3CsccpV
| 5239
| sweetgum
| 93
| 2008-05-03
| 48857
| 181762
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Cd3Se3cctvz
| 5238
| sweetgum
| 92
| 2008-05-03
| 48499
| 178923
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1drc10t
| 34994
| mimosa
| -
| 2008-04-24
| 5241
| 5098
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D12e10t1
| 34992
| mimosa
| -
| 2008-04-26
| 16236
| 15444
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D12n10c5
| 34993
| mimosa
| -
| 2008-04-26
| 21190
| 20211
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | HXaa3_dz
| 5242
| sweetgum
| 68
| 2008-04-26
| 19355
| 52444
| 4
| 1800mb
| Gaussian 03
| Hartree-Fock
| none
| | D15vc25n
| 5244
| sweetgum
| 26
| 2008-04-26
| 16521
| 17498
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | HXaa2_dz
| 5241
| sweetgum
| 20
| 2008-04-24
| 3411
| 2740
| 4
| 1800mb
| Gaussian 03
| Hartree-Fock
| none
| | HXaa4_dz
| 5243
| sweetgum
| 48
| 2008-04-26
| 20382
| 39040
| 4
| 1800mb
| Gaussian 03
| Hartree-Fock
| none
| | DXc3
| 34998
| mimosa
| -
| 2008-04-25
| 1139
| 977
| 2
| 800mb
| Gaussian 03
| Density-Functional
| none
| | rnapolsol.pbs
| 24057
| redwood
| 50
| 2008-04-27
| 3132
| 3121
| 2
| 1gb
| Unknown
|
|
| | D13asol
| 35000
| mimosa
| -
| 2008-04-25
| 3948
| 5375
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1o2a
| 34999
| mimosa
| -
| 2008-04-25
| 5629
| 4329
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | lgbl71435510.pb
| 35005
| mimosa
| -
| 2008-04-24
| 2731
| 2714
| 1
| 1gb
| Unknown
|
|
| | lgbl51071435.pb
| 35003
| mimosa
| -
| 2008-04-24
| 3583
| 3565
| 1
| 1gb
| Unknown
|
|
| | D1tetra3
| 5249
| sweetgum
| 45
| 2008-04-24
| 2713
| 2448
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1tetra4
| 5250
| sweetgum
| 43
| 2008-04-25
| 5105
| 4369
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1tetra2
| 5248
| sweetgum
| 37
| 2008-04-24
| 1603
| 1180
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1sixtet2
| 5251
| sweetgum
| 62
| 2008-04-25
| 12898
| 15976
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1dimer1
| 5247
| sweetgum
| 56
| 2008-04-24
| 2542
| 2856
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1sixtet1
| 5246
| sweetgum
| 83
| 2008-04-25
| 8562
| 14218
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1tetra1
| 5245
| sweetgum
| 50
| 2008-04-24
| 3540
| 3538
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D2a1l-dmf
| 24058
| redwood
| 54
| 2008-04-25
| 6551
| 14095
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| | D1tetra1
| 5253
| sweetgum
| 25
| 2008-04-26
| 11318
| 5699
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1tetra2
| 5254
| sweetgum
| 38
| 2008-04-25
| 531
| 401
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1tetra3
| 5255
| sweetgum
| 35
| 2008-04-25
| 7730
| 5363
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D2dimer1
| 5252
| sweetgum
| 34
| 2008-04-25
| 3318
| 2256
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 2nd
| | D1aui6_dz_nosy
| 5256
| sweetgum
| 51
| 2008-04-26
| 16386
| 16818
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | X1aa_dz_nosym
| 5257
| sweetgum
| 25
| 2008-04-25
| 653
| 320
| 2
| 900mb
| Gaussian 03
| Exotic
| 1st
| | D1ATAT_w11a1_d
| 24059
| redwood
| 26
| 2008-05-08
| 2394
| 2473
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| | D1cscl
| 35007
| mimosa
| -
| 2008-04-27
| 23697
| 23064
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1water21_an
| 35009
| mimosa
| -
| 2008-05-03
| 36984
| 36562
| 1
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1water31_an
| 35008
| mimosa
| -
| 2008-05-02
| 46052
| 45286
| 1
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | HXaa_dz_nosym
| 5262
| sweetgum
| 64
| 2008-04-30
| 19998
| 25662
| 2
| 900mb
| Gaussian 03
| Hartree-Fock
| none
| | D1tetra2
| 5265
| sweetgum
| 29
| 2008-04-25
| 5346
| 3057
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui8_cyc
| 5258
| sweetgum
| 23
| 2008-04-26
| 7002
| 6535
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | PXts1_g2
| 5267
| sweetgum
| 65
| 2008-05-01
| 29802
| 19365
| 1
| 400mb
| Gaussian 03
| Many-body Perturbative
| none
| | PXax_g2
| 5263
| sweetgum
| 48
| 2008-04-27
| 13727
| 6638
| 1
| 400mb
| Gaussian 03
| Many-body Perturbative
| none
| | PXay_g2
| 5261
| sweetgum
| 43
| 2008-04-27
| 15097
| 6489
| 1
| 400mb
| Gaussian 03
| Many-body Perturbative
| none
| | D1tetra4
| 5264
| sweetgum
| 21
| 2008-04-27
| 13226
| 5671
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui8_lin1
| 5259
| sweetgum
| 24
| 2008-04-26
| 6886
| 6593
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | PXts2_g2
| 5266
| sweetgum
| 60
| 2008-05-01
| 31248
| 18882
| 1
| 400mb
| Gaussian 03
| Many-body Perturbative
| none
| | DXc2
| 35013
| mimosa
| -
| 2008-04-26
| 14613
| 12416
| 2
| 800mb
| Gaussian 03
| Density-Functional
| none
| | DXc3
| 35014
| mimosa
| -
| 2008-04-25
| 3423
| 3271
| 2
| 800mb
| Gaussian 03
| Density-Functional
| none
| | D1ticl3_16cyc
| 35016
| mimosa
| -
| 2008-04-26
| 7736
| 6040
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | H1s_ex
| 5268
| sweetgum
| 14
| 2008-04-25
| 1046
| 149
| 1
| 400mb
| Gaussian 03
| Hartree-Fock
| 1st
| | DXz3
| 24065
| redwood
| 102
| 2008-04-26
| 2168
| 8848
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DXz4-75
| 24063
| redwood
| 82
| 2008-04-26
| 2484
| 8136
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DXz4
| 24064
| redwood
| 50
| 2008-04-26
| 3199
| 6400
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX8x4_y4
| 24062
| redwood
| 87
| 2008-04-26
| 858
| 2983
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DXz2
| 24066
| redwood
| 84
| 2008-04-26
| 1632
| 5496
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX8x4_y3-75
| 24061
| redwood
| 27
| 2008-04-25
| 2398
| 2544
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DXz1
| 24067
| redwood
| 83
| 2008-04-26
| 1799
| 5947
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | D13asol
| 35020
| mimosa
| -
| 2008-04-27
| 7903
| 7831
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1o1a
| 35017
| mimosa
| -
| 2008-04-25
| 5276
| 4041
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D13asol
| 35019
| mimosa
| -
| 2008-04-25
| 2565
| 1567
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1o2a
| 35018
| mimosa
| -
| 2008-04-25
| 5149
| 3442
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | PXdmds_1
| 5269
| sweetgum
| 150
| 2008-04-25
| 1723
| 2590
| 1
| 400mb
| Gaussian 03
| Many-body Perturbative
| none
| | DXc3
| 35021
| mimosa
| -
| 2008-04-26
| 7010
| 6335
| 2
| 800mb
| Gaussian 03
| Density-Functional
| none
| | D1sixtet1
| 5272
| sweetgum
| 47
| 2008-04-27
| 9733
| 9103
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D12e10tz
| 35024
| mimosa
| -
| 2008-04-28
| 21090
| 20272
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1d10tpr
| 35023
| mimosa
| -
| 2008-04-26
| 5699
| 5423
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1drcprc
| 35022
| mimosa
| -
| 2008-04-27
| 10456
| 13033
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1a8
| 5273
| sweetgum
| 54
| 2008-04-26
| 3133
| 6790
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1tetra3_n
| 5274
| sweetgum
| 32
| 2008-04-26
| 8013
| 5138
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1tetra5
| 5276
| sweetgum
| 29
| 2008-04-26
| 8193
| 4748
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1sixtet2
| 5275
| sweetgum
| 53
| 2008-04-27
| 10680
| 11364
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui8_cyc
| 5277
| sweetgum
| 69
| 2008-04-26
| 3160
| 8722
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui8_lin1
| 5278
| sweetgum
| 93
| 2008-04-27
| 6703
| 25018
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1idme-4cu1
| 24073
| redwood
| 93
| 2008-05-01
| 38849
| 36052
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1idme-4cu2
| 24072
| redwood
| 92
| 2008-04-30
| 40361
| 37125
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1ticl3_16cyc
| 35032
| mimosa
| -
| 2008-04-26
| 3179
| 2730
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1a8
| 5282
| sweetgum
| 94
| 2008-04-27
| 7516
| 28293
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1dimer1_sdd
| 5284
| sweetgum
| 31
| 2008-04-26
| 3772
| 4703
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui8_lin2
| 5283
| sweetgum
| 68
| 2008-04-27
| 9724
| 26444
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | P1aui6_sdd_mp2
| 5285
| sweetgum
| 88
| 2008-04-29
| 18559
| 65645
| 4
| 1800mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | H1s_no2
| 5286
| sweetgum
| 72
| 2008-04-26
| 1550
| 1111
| 1
| 400mb
| Gaussian 03
| Hartree-Fock
| 1st
| | IXdmds_2a
| 24074
| redwood
| 146
| 2008-04-27
| 655
| 957
| 1
| 800mb
| Gaussian 03
| Configuration Interaction
| none
| | PXts12_g2
| 24075
| redwood
| 44
| 2008-04-29
| 16679
| 7395
| 1
| 800mb
| Gaussian 03
| Many-body Perturbative
| none
| | IXdmds_1a
| 5287
| sweetgum
| 141
| 2008-04-26
| 3045
| 4281
| 1
| 400mb
| Gaussian 03
| Configuration Interaction
| none
| | D1ticl3_16cyc
| 35040
| mimosa
| -
| 2008-04-26
| 156
| 151
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1ticl3_16cyc
| 35041
| mimosa
| -
| 2008-04-27
| 8617
| 6955
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D2d1rr6cddftf
| 35043
| mimosa
| -
| 2008-04-30
| 36569
| 34555
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 2nd
| | D2aui8_cyc
| 5289
| sweetgum
| 95
| 2008-04-27
| 10840
| 41015
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 2nd
| | D1ticl3_14cyc
| 5290
| sweetgum
| 97
| 2008-04-29
| 16329
| 63671
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1tetra3_n
| 5291
| sweetgum
| 47
| 2008-04-26
| 4728
| 4459
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DXz4-075
| 24081
| redwood
| 87
| 2008-04-29
| 1271
| 4434
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DXz2
| 24078
| redwood
| 22
| 2008-04-27
| 2570
| 2245
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX7x4_0
| 24082
| redwood
| 40
| 2008-04-27
| 1442
| 2311
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX7x4_z3
| 24085
| redwood
| 72
| 2008-04-27
| 902
| 2610
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX7x4_z2
| 24084
| redwood
| 90
| 2008-04-27
| 344
| 1241
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DXz1
| 24077
| redwood
| 84
| 2008-04-27
| 1034
| 3469
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX0
| 24076
| redwood
| 20
| 2008-04-27
| 3561
| 2886
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DXz3
| 24079
| redwood
| 35
| 2008-04-29
| 4192
| 5847
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DXz4
| 24080
| redwood
| 41
| 2008-04-29
| 4945
| 8025
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | H1mob23calHFst
| 5292
| sweetgum
| 76
| 2008-04-27
| 5971
| 4524
| 1
| 400mb
| Gaussian 03
| Hartree-Fock
| 1st
| | D11a2pes
| 35045
| mimosa
| -
| 2008-04-28
| 17486
| 15492
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | DXc3
| 35046
| mimosa
| -
| 2008-05-01
| 36669
| 33969
| 2
| 900mb
| Gaussian 03
| Density-Functional
| none
| | DXaui4_sdd_adm
| 35047
| mimosa
| -
| 2008-05-01
| 33965
| 35657
| 2
| 900mb
| Gaussian 03
| Density-Functional
| none
| | D1a8_sdd
| 5298
| sweetgum
| 79
| 2008-04-28
| 6947
| 21906
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1trimer_sdd
| 5300
| sweetgum
| 35
| 2008-04-27
| 3562
| 2483
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1tetra4
| 5295
| sweetgum
| 66
| 2008-04-27
| 3137
| 4126
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1sixtet1
| 5296
| sweetgum
| 73
| 2008-04-27
| 7445
| 21865
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_sdd
| 5301
| sweetgum
| 85
| 2008-04-30
| 15597
| 53262
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1sixtet2
| 5297
| sweetgum
| 35
| 2008-04-27
| 3796
| 5275
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_dz_nosy
| 5293
| sweetgum
| 47
| 2008-04-27
| 4124
| 7762
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1tetra5
| 5294
| sweetgum
| 45
| 2008-04-27
| 4296
| 3844
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui8_lin1
| 5302
| sweetgum
| 43
| 2008-04-28
| 4132
| 7181
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D2aui8_lin2
| 5303
| sweetgum
| 54
| 2008-04-27
| 3193
| 6905
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 2nd
| | D1a8
| 5306
| sweetgum
| 41
| 2008-04-27
| 4793
| 7878
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1dimer1_1_dz
| 5305
| sweetgum
| 29
| 2008-04-27
| 3910
| 2261
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1trimer_1_dz
| 5304
| sweetgum
| 26
| 2008-04-27
| 2879
| 1485
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D2d10tpr
| 35048
| mimosa
| -
| 2008-04-27
| 3807
| 3707
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 2nd
| | D1drc10e
| 35050
| mimosa
| -
| 2008-04-27
| 5172
| 5006
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui8_cyc_cc
| 35051
| mimosa
| -
| 2008-04-28
| 9823
| 11875
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui2_cc
| 5307
| sweetgum
| 74
| 2008-04-27
| 1403
| 2082
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D12e10tn
| 35052
| mimosa
| -
| 2008-05-01
| 26464
| 25380
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1sixtet2
| 5308
| sweetgum
| 57
| 2008-04-27
| 6591
| 15148
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | PXts1x1_g2
| 5314
| sweetgum
| 74
| 2008-04-29
| 13496
| 9971
| 1
| 400mb
| Gaussian 03
| Many-body Perturbative
| none
| | D1aui6_dz_nosy
| 5309
| sweetgum
| 48
| 2008-04-29
| 6734
| 12893
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | PXts2y1_g2
| 5313
| sweetgum
| 71
| 2008-04-29
| 13878
| 9839
| 1
| 400mb
| Gaussian 03
| Many-body Perturbative
| none
| | H1mob23calHFst
| 5310
| sweetgum
| 66
| 2008-04-27
| 6605
| 8750
| 2
| 900mb
| Gaussian 03
| Hartree-Fock
| 1st
| | D1d10ed
| 35053
| mimosa
| -
| 2008-04-29
| 12134
| 14716
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1dc10ed
| 35054
| mimosa
| -
| 2008-04-29
| 8027
| 7623
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | H1mob23calHFst
| 5316
| sweetgum
| 54
| 2008-04-30
| 15072
| 16372
| 2
| 900mb
| Gaussian 03
| Hartree-Fock
| 1st
| | D1tetra5
| 5318
| sweetgum
| 39
| 2008-04-28
| 5327
| 4200
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_cc
| 5317
| sweetgum
| 54
| 2008-04-30
| 4455
| 9581
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DX7x4_z3-75
| 24087
| redwood
| 14
| 2008-04-27
| 1983
| 1143
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX7x4_z4
| 24086
| redwood
| 25
| 2008-04-27
| 2280
| 2319
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | D2rbcl_freq
| 35057
| mimosa
| -
| 2008-04-27
| 1985
| 3217
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 2nd
| | D1aui6_1_cc
| 35055
| mimosa
| -
| 2008-04-28
| 10463
| 9370
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1a8_cc
| 5319
| sweetgum
| 87
| 2008-05-02
| 14956
| 52044
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_1_dz
| 5322
| sweetgum
| 38
| 2008-04-29
| 12516
| 18997
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1a8_1
| 5320
| sweetgum
| 48
| 2008-04-29
| 6038
| 11648
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D22ec10t
| 24089
| redwood
| 99
| 2008-04-28
| 8501
| 8443
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 2nd
| | HXhf_31_40
| 35061
| mimosa
| -
| 2008-04-30
| 19318
| 18373
| 2
| 500mb
| Gaussian 03
| Hartree-Fock
| none
| | HXhf_11_20
| 35059
| mimosa
| -
| 2008-04-30
| 18743
| 20971
| 2
| 500mb
| Gaussian 03
| Hartree-Fock
| none
| | HXhf_21_30
| 35060
| mimosa
| -
| 2008-04-30
| 18494
| 20661
| 2
| 500mb
| Gaussian 03
| Hartree-Fock
| none
| | HXhf_1_10
| 35058
| mimosa
| -
| 2008-04-28
| 3414
| 3362
| 2
| 450mb
| Gaussian 03
| Hartree-Fock
| none
| | HXhf_51_60
| 35063
| mimosa
| -
| 2008-04-30
| 18917
| 17966
| 2
| 500mb
| Gaussian 03
| Hartree-Fock
| none
| | HXhf_41_50
| 35062
| mimosa
| -
| 2008-04-30
| 18986
| 21039
| 2
| 500mb
| Gaussian 03
| Hartree-Fock
| none
| | D1tr_dm_dz
| 5323
| sweetgum
| 43
| 2008-04-29
| 8833
| 15257
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1tr_dm_cc
| 5324
| sweetgum
| 82
| 2008-04-30
| 18560
| 60766
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | X1d73_opt
| 24091
| redwood
| 88
| 2008-05-04
| 4841
| 17059
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | D1dc10t
| 24094
| redwood
| 115
| 2008-04-30
| 7688
| 8829
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | X1d73_T
| 24092
| redwood
| 27
| 2008-05-03
| 3890
| 4242
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | D1d10td
| 24093
| redwood
| 88
| 2008-04-29
| 9178
| 8095
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1d10epr
| 24090
| redwood
| 99
| 2008-04-29
| 12410
| 12244
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | HXhf_66
| 35064
| mimosa
| -
| 2008-04-28
| 8860
| 8157
| 2
| 500mb
| Gaussian 03
| Hartree-Fock
| none
| | HXhf_t121
| 35065
| mimosa
| -
| 2008-04-29
| 17002
| 15050
| 2
| 500mb
| Gaussian 03
| Hartree-Fock
| none
| | D1tr_dm_1_dz
| 5326
| sweetgum
| 40
| 2008-04-29
| 9986
| 16104
| 4
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D15n46c
| 5325
| sweetgum
| 23
| 2008-05-02
| 39093
| 36312
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | X1Au9C4vCoLDA1
| 24095
| redwood
| 77
| 2008-05-02
| 22846
| 69988
| 4
| 3200mb
| Gaussian 03
| Exotic
| 1st
| | D1si20Ih
| 24098
| redwood
| 64
| 2008-05-03
| 20299
| 51907
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1ptH4PTD6h
| 24097
| redwood
| 71
| 2008-04-29
| 12589
| 35807
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1PtH4PTD6h
| 24096
| redwood
| 72
| 2008-04-28
| 9769
| 28204
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1cscl
| 35068
| mimosa
| -
| 2008-04-27
| 2436
| 2399
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1ticl3_8cyc_6
| 35067
| mimosa
| -
| 2008-05-04
| 57642
| 56690
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1ticl3_8lin_6
| 35066
| mimosa
| -
| 2008-04-28
| 9076
| 8108
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1si14d2dArim
| 24103
| redwood
| 56
| 2008-04-30
| 6708
| 15051
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1si12D6hArim3
| 24101
| redwood
| 99
| 2008-04-30
| 2371
| 9343
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1si14d2dHeim
| 24102
| redwood
| 61
| 2008-04-30
| 7247
| 17817
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui7
| 35069
| mimosa
| -
| 2008-04-27
| 392
| 355
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1si15fkHe
| 24104
| redwood
| 68
| 2008-04-30
| 5821
| 15734
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1si15fkAr
| 24105
| redwood
| 53
| 2008-05-02
| 4924
| 10512
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui7_full
| 35071
| mimosa
| -
| 2008-04-28
| 2997
| 2086
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D11k
| 5327
| sweetgum
| 50
| 2008-04-28
| 4922
| 2448
| 1
| 200mb
| Gaussian 03
| Density-Functional
| 1st
| | X1mGmC_BHH
| 24106
| redwood
| 59
| 2008-05-07
| 3436
| 8117
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| | P1hgo3-mp2-c2v
| 24108
| redwood
| 32
| 2008-04-29
| 3634
| 4580
| 4
| 3500mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | H1mob23calHFst
| 5328
| sweetgum
| 77
| 2008-05-09
| 93494
| 144152
| 2
| 900mb
| Gaussian 03
| Hartree-Fock
| 1st
| | D15vpcm
| 35072
| mimosa
| -
| 2008-04-29
| 5905
| 5604
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D15n1
| 35073
| mimosa
| -
| 2008-04-29
| 4716
| 4357
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui7_full
| 35074
| mimosa
| -
| 2008-04-28
| 3218
| 2229
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1sixtet2
| 5330
| sweetgum
| 47
| 2008-04-29
| 6736
| 12698
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1a8_sdd
| 5329
| sweetgum
| 33
| 2008-04-28
| 4572
| 6076
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1sixtet1
| 5331
| sweetgum
| 44
| 2008-04-29
| 6332
| 11079
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1ena06
| 35079
| mimosa
| -
| 2008-04-30
| 6205
| 6076
| 1
| 300mb
| Gaussian 03
| Density-Functional
| 1st
| | D1ena03
|
|
