%chk=000188881.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188881

0 1
S 2.017805 1.972720 -0.499838
O -0.046102 1.900523 1.127854
N 0.492423 -0.138892 0.172112
C -0.526364 -0.962810 0.913506
C 1.330101 -0.881917 -0.809781
C 2.605062 -1.434982 -0.154133
C -1.887886 -0.814421 0.251429
C -0.576391 -0.615788 2.401135
C 3.423933 -2.256043 -1.158372
C 0.639451 1.209825 0.401918
C -2.454010 -1.921541 -0.397798
C -2.585599 0.400571 0.284207
C 4.689600 -2.821299 -0.518568
C -3.708743 -1.813013 -1.004353
C -3.838671 0.505927 -0.324735
C -4.403045 -0.599771 -0.969018
C 1.822324 3.731590 -0.031751
C 3.168545 4.245981 0.420762
H -0.187644 -2.034751 0.826324
H 0.718673 -1.711815 -1.234670
H 1.579352 -0.234776 -1.682897
H 2.346740 -2.054475 0.725806
H 3.221086 -0.603168 0.244724
H -1.314557 -1.237192 2.920737
H 0.395601 -0.761143 2.884915
H -0.861484 0.436600 2.572110
H 3.697388 -1.623903 -2.027090
H 2.810320 -3.083816 -1.564783
H -1.923164 -2.870598 -0.431066
H -2.141978 1.268897 0.783585
H 5.339898 -2.024380 -0.138314
H 5.273483 -3.401920 -1.241906
H 4.458138 -3.483459 0.323463
H -4.145008 -2.675019 -1.505258
H -4.375218 1.453002 -0.296951
H -5.379280 -0.515934 -1.441974
H 1.438972 4.278984 -0.912848
H 1.052833 3.819035 0.768903
H 3.542323 3.706357 1.302885
H 3.936298 4.161454 -0.359976
H 3.107697 5.308160 0.698204


%chk=000188881-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188881

0 1
S 2.202463 2.045093 -0.823589
O 0.059712 2.142234 0.914529
N 0.594231 -0.002424 0.113377
C -0.421977 -0.744458 0.951033
C 1.344649 -0.833664 -0.861791
C 2.606677 -1.497195 -0.265065
C -1.813909 -0.742275 0.305546
C -0.436780 -0.306963 2.433230
C 3.336167 -2.385719 -1.298133
C 0.757575 1.360264 0.210410
C -2.363379 -1.955869 -0.178391
C -2.577441 0.450279 0.191215
C 4.604792 -3.048191 -0.719432
C -3.648485 -1.986838 -0.768405
C -3.858611 0.420471 -0.400433
C -4.399722 -0.795812 -0.882067
C 2.029330 3.858534 -0.302169
C 2.774742 4.168299 1.002061
H -0.054395 -1.789116 0.933973
H 0.650226 -1.609330 -1.239568
H 1.622084 -0.212504 -1.732564
H 2.325295 -2.110134 0.616042
H 3.290108 -0.705714 0.097720
H -1.068891 -1.011153 3.003388
H 0.585121 -0.332890 2.852929
H -0.835328 0.709928 2.557856
H 3.610072 -1.771186 -2.179637
H 2.643807 -3.170532 -1.667135
H -1.786221 -2.885731 -0.087646
H -2.157950 1.393166 0.557695
H 5.326511 -2.284347 -0.374774
H 5.111737 -3.676592 -1.474303
H 4.358321 -3.691812 0.146023
H -4.059537 -2.933877 -1.136172
H -4.437497 1.347177 -0.485897
H -5.395612 -0.813760 -1.339140
H 2.417965 4.429566 -1.162194
H 0.946869 4.036746 -0.195217
H 2.346534 3.583450 1.833558
H 3.850483 3.933012 0.921033
H 2.673166 5.242670 1.250604


