%chk=000268007.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268007

0 1
S 3.348090 -2.081495 -0.866364
O -1.767343 -1.650986 -1.378912
O -1.695587 -0.264536 3.172276
O -2.897439 2.128480 2.200678
C 2.137358 -2.361047 0.526390
C 0.891971 -1.523380 0.210400
C -0.266430 -1.771898 1.188832
C 2.792843 -1.962577 1.836031
C 1.887574 -3.860884 0.438077
C -1.463414 -0.916278 0.895358
C -2.132452 -0.920763 -0.287663
C -1.960659 -0.087969 2.009608
C -3.368233 -0.149710 -0.541335
C 3.771603 -0.373609 -0.782951
C -3.752435 0.829055 0.399999
C -2.896414 1.087736 1.595730
C -4.152517 -0.371949 -1.677538
C -4.915020 1.575687 0.194421
C 4.851915 0.028380 0.005471
C 3.068117 0.545023 -1.565063
C -5.322857 0.373664 -1.870872
C -5.703962 1.341722 -0.939843
C 5.225220 1.374402 0.021948
C 3.444095 1.890167 -1.547316
C 4.522052 2.313883 -0.751182
C 4.928766 3.750824 -0.741474
H 1.150073 -0.442140 0.225773
H 0.552948 -1.731535 -0.831960
H 0.077608 -1.580788 2.232973
H -0.565056 -2.841454 1.180190
H 2.998924 -0.884716 1.889293
H 2.152103 -2.202293 2.696010
H 3.746106 -2.483549 1.996138
H 1.446409 -4.161780 -0.520301
H 1.206873 -4.196738 1.231707
H 2.814583 -4.440806 0.559279
H -3.846011 -1.124987 -2.408227
H -5.198592 2.342388 0.921241
H 5.405685 -0.698692 0.601110
H 2.236765 0.220816 -2.191654
H -0.865525 -2.101702 -1.250166
H -5.935544 0.195216 -2.755619
H -6.614588 1.921423 -1.094052
H 6.066107 1.694095 0.634075
H 2.900762 2.611086 -2.154776
H 5.664883 3.951296 -1.534971
H 4.079747 4.427216 -0.910164
H 5.389997 4.049705 0.209600


%chk=000268007-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268007

0 1
S 3.388339 -2.048732 -1.119430
O -2.309106 -2.362758 -0.744873
O -0.733413 0.940508 2.405197
O -2.959455 2.534317 1.788523
C 2.115441 -2.393227 0.334428
C 0.891260 -1.470812 0.113784
C -0.231416 -1.617584 1.190766
C 2.807137 -2.147691 1.686689
C 1.774759 -3.886352 0.133179
C -1.443316 -0.763309 0.870708
C -2.399008 -1.154969 -0.054913
C -1.582485 0.529533 1.554226
C -3.587974 -0.364299 -0.410396
C 3.877746 -0.293695 -0.840631
C -3.794092 0.901610 0.215986
C -2.815471 1.418344 1.218058
C -4.527168 -0.834952 -1.359663
C -4.932301 1.674228 -0.114334
C 4.995817 0.013778 -0.027956
C 3.182885 0.756761 -1.488213
C -5.660419 -0.055395 -1.680698
C -5.866311 1.199901 -1.059507
C 5.400065 1.356088 0.145073
C 3.594184 2.096286 -1.309275
C 4.707507 2.419337 -0.490608
C 5.163149 3.858215 -0.323849
H 1.229645 -0.418131 0.123529
H 0.488163 -1.663522 -0.901231
H 0.160185 -1.276736 2.164241
H -0.516684 -2.684161 1.317167
H 3.088007 -1.086877 1.805482
H 2.131872 -2.415712 2.522309
H 3.719093 -2.763624 1.774687
H 1.298496 -4.062750 -0.849743
H 1.089540 -4.237582 0.928027
H 2.686169 -4.507942 0.185097
H -4.361749 -1.804421 -1.836105
H -5.061668 2.641046 0.383133
H 5.546219 -0.797720 0.459463
H 2.329709 0.522158 -2.133527
H -1.486439 -2.854898 -0.491487
H -6.383032 -0.426484 -2.415219
H -6.746556 1.800164 -1.311550
H 6.265102 1.579707 0.781213
H 3.042478 2.900241 -1.811446
H 5.889245 4.137781 -1.112097
H 4.315755 4.562469 -0.393836
H 5.659193 4.015862 0.649823


