%chk=000200989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200989

0 1
S -5.576728 -0.399059 0.657858
O 8.567432 0.076788 0.369598
O 7.426742 -1.732987 -0.279397
N -7.938935 -1.282096 1.407221
N -7.901133 -0.700729 -0.874462
C 1.208265 0.914593 0.064930
C -0.125365 0.243930 -0.291104
C 2.390912 -0.034894 -0.168928
C -1.309007 1.193197 -0.060547
C 3.724925 0.634119 0.189220
C -2.641394 0.518428 -0.413807
C 4.902257 -0.318075 -0.049799
C -3.824024 1.468795 -0.181011
C 6.235153 0.347196 0.308960
C -5.159118 0.863945 -0.594361
C 7.386815 -0.582832 0.084346
C -7.309672 -0.774987 0.261285
H 1.339094 1.834952 -0.536345
H 1.192807 1.244090 1.121899
H -0.257451 -0.675490 0.312212
H -0.109604 -0.089641 -1.346792
H 2.405678 -0.364743 -1.226082
H 2.257951 -0.956565 0.430820
H -1.323535 1.525033 0.995896
H -1.177202 2.111616 -0.664390
H 3.854762 1.556667 -0.409490
H 3.708627 0.960167 1.247487
H -2.626245 0.182583 -1.468763
H -2.765528 -0.403307 0.189728
H 4.774082 -1.246486 0.544193
H 4.920615 -0.649821 -1.108224
H -3.849318 1.788366 0.882253
H -3.665400 2.405050 -0.758940
H 6.237393 0.685542 1.369433
H 6.388282 1.276580 -0.284007
H -5.949906 1.636458 -0.631288
H -5.100153 0.399041 -1.595648
H 9.368586 -0.495276 0.239596
H -7.688698 -0.874586 2.298678
H -8.933411 -1.474882 1.321606
H -7.399251 -0.488178 -1.725637


%chk=000200989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200989

0 1
S -5.685406 -0.521129 0.650484
O 8.750682 0.153045 0.261144
O 7.530963 -1.790541 -0.088798
N -8.165310 -1.434151 1.189853
N -8.142682 -0.271986 -0.845468
C 1.244625 0.906779 0.029519
C -0.120881 0.217285 -0.189247
C 2.443781 -0.061475 -0.081739
C -1.318253 1.186252 -0.065072
C 3.808709 0.634695 0.117878
C -2.682476 0.507080 -0.319790
C 5.002450 -0.339306 0.010196
C -3.868842 1.486597 -0.169601
C 6.352900 0.375227 0.205431
C -5.239842 0.892309 -0.534975
C 7.545052 -0.555541 0.104348
C -7.513873 -0.709609 0.207419
H 1.364113 1.724592 -0.711901
H 1.255297 1.389877 1.029196
H -0.238653 -0.607071 0.544417
H -0.135251 -0.256327 -1.193177
H 2.426007 -0.554263 -1.076181
H 2.331857 -0.871965 0.668106
H -1.317473 1.640728 0.947906
H -1.186304 2.024030 -0.781999
H 3.919267 1.442702 -0.635731
H 3.823126 1.131315 1.111034
H -2.693336 0.072599 -1.341126
H -2.810389 -0.342465 0.380549
H 4.900113 -1.145037 0.762063
H 4.991160 -0.840314 -0.976872
H -3.902462 1.881135 0.864985
H -3.700841 2.359372 -0.834838
H 6.399438 0.875473 1.193212
H 6.489250 1.182629 -0.540768
H -6.038490 1.649036 -0.444987
H -5.228162 0.484622 -1.561895
H 9.512674 -0.484593 0.192533
H -7.734909 -1.614519 2.092487
H -9.143009 -1.671502 1.032253
H -7.565319 0.176918 -1.572650


