%chk=000198771.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198771

0 1
S -2.083816 2.356463 0.025346
O 5.526529 0.520458 -0.947845
O 2.285351 -0.620708 -0.068156
O -4.140792 -0.875435 -0.129253
N -3.557176 1.426131 -0.024023
C 4.559216 -0.158295 -0.089104
C 5.774548 0.502639 0.495318
C 3.205542 0.513166 -0.012743
C 0.938670 -0.364715 -0.072367
C -1.821239 -0.217837 -0.085607
C -1.028735 0.953012 -0.029023
C 0.360434 0.911263 -0.020628
C 0.171646 -1.559065 -0.131191
C -1.212185 -1.481629 -0.138202
C -3.243993 0.142066 -0.078966
C -5.551245 -0.493069 -0.124214
H 4.521281 -1.248505 -0.225972
H 5.712685 1.478134 0.971717
H 6.637341 -0.089350 0.795410
H 3.027906 1.173146 -0.883911
H 3.039581 1.054477 0.934718
H 0.948543 1.820275 0.019911
H 0.691076 -2.514734 -0.171766
H -1.831198 -2.379894 -0.183619
H -5.785510 0.045799 0.799683
H -6.043951 -1.469895 -0.170540
H -5.770808 0.123601 -1.001972


%chk=000198771-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198771

0 1
S -2.054772 2.362252 0.381267
O 5.346973 -0.151104 -1.104889
O 2.336754 -0.742088 -0.007188
O -4.200997 -0.854264 -0.288631
N -3.594366 1.401155 0.145891
C 4.646014 -0.157244 0.232833
C 5.807728 0.761260 0.004583
C 3.241656 0.387619 0.258190
C 0.959948 -0.485833 -0.021599
C -1.842380 -0.244665 -0.087707
C -1.016231 0.887040 0.151586
C 0.390229 0.793016 0.190017
C 0.146418 -1.633313 -0.266636
C -1.247900 -1.515610 -0.300122
C -3.251659 0.124439 -0.074033
C -5.610852 -0.404118 -0.260299
H 4.801013 -1.080939 0.804095
H 5.625936 1.829045 -0.176033
H 6.780711 0.511593 0.443246
H 3.122518 1.170024 -0.517999
H 3.010976 0.819352 1.255930
H 1.007042 1.676525 0.372354
H 0.644918 -2.593150 -0.427262
H -1.884893 -2.385080 -0.487334
H -5.851971 0.033810 0.723566
H -6.197138 -1.314969 -0.446704
H -5.785975 0.352747 -1.044122


