%chk=000116028.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116028

0 1
S 0.583034 -0.781884 -0.076697
S -0.308165 0.921107 -0.904099
O 0.517669 -1.824455 -1.065988
O -0.045492 -0.984901 1.206039
N -4.179186 0.082397 0.046835
C -2.742753 0.446231 0.282254
C -5.103817 0.835038 0.956931
C -4.381595 -1.401756 0.160510
C -2.064075 0.449726 -1.087005
C -5.196585 2.297502 0.518268
C -5.666137 -1.809020 -0.562829
C 2.181513 -0.195673 0.101553
C 2.566278 0.447916 1.285105
C 3.108883 -0.359383 -0.936033
C 4.795727 0.778370 0.386114
C 3.864766 0.933287 1.429206
C 4.408626 0.124161 -0.797471
C 6.188785 1.286728 0.541067
H -2.225664 -0.245724 0.989854
H -2.670110 1.456054 0.744614
H -6.112848 0.368973 0.883771
H -4.802161 0.772177 2.024782
H -3.516447 -1.912908 -0.319529
H -4.405306 -1.753000 1.214821
H -2.530979 1.197869 -1.761022
H -2.151241 -0.526212 -1.603075
H -4.251925 2.832419 0.668580
H -5.437096 2.368870 -0.551156
H -5.975593 2.826394 1.075852
H -6.561310 -1.437609 -0.051913
H -5.687031 -1.399661 -1.582054
H -5.746024 -2.898378 -0.635321
H 1.847405 0.565856 2.104746
H 2.815700 -0.874729 -1.858741
H 4.157659 1.432195 2.351432
H 5.124517 -0.006201 -1.607334
H 6.636072 1.590479 -0.416178
H 6.249954 2.155755 1.211456
H 6.841849 0.507595 0.966453


%chk=000116028-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116028

0 1
S 0.577253 -0.148344 1.360109
S -0.620234 1.961805 0.739445
O -0.109631 -1.281177 0.383803
O 0.617455 -0.373452 2.975864
N -4.331565 0.170997 0.093953
C -3.271145 0.913743 0.807210
C -5.712363 0.635703 0.378447
C -4.156464 -1.306092 0.135661
C -2.026768 1.049458 -0.094347
C -6.046138 1.979296 -0.299198
C -4.733057 -2.017081 -1.103683
C 2.352428 0.095882 0.782154
C 3.307252 0.456753 1.745677
C 2.653631 -0.103354 -0.574546
C 5.004474 0.434894 -0.046087
C 4.641386 0.624779 1.313355
C 3.995579 0.068751 -0.977442
C 6.447169 0.587613 -0.490936
H -2.974324 0.425204 1.764985
H -3.646356 1.919845 1.064070
H -6.409369 -0.133366 -0.000705
H -5.893951 0.712483 1.479261
H -3.073956 -1.521923 0.199695
H -4.613192 -1.731739 1.063203
H -2.254443 1.576547 -1.038394
H -1.621715 0.047110 -0.353876
H -5.381434 2.791360 0.048035
H -5.933627 1.891633 -1.393821
H -7.086067 2.278868 -0.070940
H -5.821596 -1.854323 -1.206585
H -4.244407 -1.641702 -2.019524
H -4.562407 -3.107357 -1.033120
H 3.019011 0.583023 2.794089
H 1.875152 -0.399461 -1.284317
H 5.408337 0.905835 2.044014
H 4.261157 -0.083262 -2.029872
H 6.515586 0.938794 -1.535076
H 6.996479 1.299986 0.148308
H 6.978759 -0.382125 -0.435071


