%chk=000000497.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000497

0 1
S -1.329873 -1.147238 -1.403333
O -5.584476 0.959522 -0.513167
O 5.550164 -0.243867 1.322376
N -3.313104 1.280956 0.063327
N -4.223590 -0.715278 0.453370
N 6.625737 0.091740 -0.701518
C -2.191155 0.524318 0.624123
C -2.841573 -0.901762 0.902820
C -0.970012 0.392986 -0.336816
C -2.064733 -1.989573 0.117967
C 0.377706 0.296677 0.407814
C 1.605789 0.281811 -0.525935
C -4.500716 0.554794 -0.059501
C 2.935797 0.177953 0.250675
C 4.158555 0.149138 -0.685267
C 5.482373 -0.016438 0.079152
H -1.841622 0.980900 1.572489
H -2.805898 -1.141872 1.984141
H -0.956184 1.243408 -1.043446
H -1.253369 -2.418044 0.730674
H -2.726727 -2.799272 -0.228319
H 0.390550 -0.608531 1.048552
H 0.456377 1.167288 1.095073
H -3.259394 2.250069 -0.237895
H -4.938674 -1.437155 0.474321
H 1.602757 1.203630 -1.146173
H 1.508742 -0.571628 -1.226911
H 2.941515 -0.734757 0.875395
H 3.035837 1.026608 0.954429
H 4.200078 1.076625 -1.292209
H 4.061234 -0.690240 -1.404689
H 7.534330 -0.026522 -0.253654
H 6.584559 0.277156 -1.702165


%chk=000000497-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000000497

0 1
S -1.352722 -1.196506 -1.372623
O -5.602896 0.955707 -0.511921
O 5.496949 -0.921987 1.067950
N -3.306371 1.288329 0.031188
N -4.217946 -0.689394 0.513850
N 6.613911 0.319847 -0.537532
C -2.179196 0.549734 0.605110
C -2.828707 -0.863663 0.946020
C -0.971284 0.378297 -0.366328
C -2.067083 -1.981347 0.188352
C 0.383960 0.301985 0.367418
C 1.603322 0.241272 -0.575818
C -4.500229 0.561221 -0.048997
C 2.938213 0.155673 0.194343
C 4.160904 0.085718 -0.744609
C 5.460138 -0.215370 0.017821
H -1.815943 1.040394 1.531111
H -2.775200 -1.064587 2.034524
H -0.961602 1.203335 -1.102501
H -1.247122 -2.390129 0.802917
H -2.736096 -2.801164 -0.118335
H 0.398059 -0.576689 1.044038
H 0.474183 1.198924 1.018697
H -3.251845 2.242803 -0.313101
H -4.930458 -1.412390 0.561866
H 1.601476 1.136838 -1.233197
H 1.496256 -0.639617 -1.240241
H 2.951724 -0.739962 0.843087
H 3.043381 1.028721 0.869321
H 4.260255 1.019875 -1.331930
H 4.009372 -0.735112 -1.475993
H 7.509071 0.114064 -0.093659
H 6.594527 0.898583 -1.375128


