%chk=000182272.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182272

0 1
S -0.446744 -1.081328 0.551111
O 0.204610 1.473490 0.339158
N 1.982166 0.014928 0.123827
C 2.480417 -1.397910 0.030651
C 3.010728 1.122352 0.132571
C 3.121611 -1.815154 1.358735
C 3.463259 -1.536498 -1.139859
C 2.957605 1.887462 1.457929
C 2.789269 2.049805 -1.064591
C 0.657814 0.351748 0.302835
C -2.074344 -0.474313 0.246159
C -2.514353 0.754657 0.736566
C -2.925180 -1.332670 -0.457448
C -3.844951 1.131481 0.519034
C -4.254360 -0.949313 -0.658646
C -4.713264 0.280758 -0.171743
H 1.614988 -2.084118 -0.187586
H 4.018365 0.633802 0.036962
H 3.443144 -2.862290 1.326865
H 3.999963 -1.210207 1.608166
H 2.413993 -1.716198 2.192367
H 3.018594 -1.180054 -2.077737
H 3.742615 -2.586361 -1.285783
H 4.390276 -0.972161 -0.982513
H 3.746704 2.644275 1.508375
H 1.996936 2.413674 1.578880
H 3.071221 1.221398 2.319451
H 2.810301 1.503211 -2.013021
H 3.552372 2.832924 -1.106012
H 1.809260 2.551726 -1.004291
H -1.829018 1.426173 1.263220
H -2.566868 -2.285196 -0.847598
H -4.200698 2.091217 0.890557
H -4.931944 -1.607436 -1.199475
H -5.748486 0.576025 -0.334617


%chk=000182272-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182272

0 1
S -0.463511 -1.352584 0.312828
O 0.116628 1.368601 0.160840
N 1.996277 -0.028484 0.176881
C 2.587244 -1.403282 0.211820
C 2.947933 1.141273 0.122627
C 3.403756 -1.632343 1.505427
C 3.407574 -1.700537 -1.065642
C 2.830475 2.041447 1.374110
C 2.802794 1.938850 -1.193777
C 0.644446 0.229594 0.195610
C -2.129995 -0.591874 0.142141
C -2.587980 0.389929 1.049873
C -2.973885 -1.070695 -0.886875
C -3.901128 0.895782 0.920839
C -4.292135 -0.571087 -0.998812
C -4.757002 0.414541 -0.097648
H 1.742695 -2.113395 0.225898
H 3.953310 0.681392 0.132293
H 3.768381 -2.674941 1.536979
H 4.286264 -0.968555 1.560390
H 2.778401 -1.456596 2.397852
H 2.787376 -1.564792 -1.968587
H 3.762797 -2.746622 -1.042886
H 4.296540 -1.048963 -1.150030
H 3.617496 2.817309 1.345590
H 1.848415 2.539708 1.405622
H 2.959245 1.451482 2.299146
H 2.924606 1.278592 -2.070806
H 3.579376 2.724480 -1.240187
H 1.813252 2.420148 -1.249706
H -1.924554 0.759911 1.835780
H -2.601074 -1.820905 -1.591872
H -4.254262 1.662748 1.619034
H -4.947227 -0.945875 -1.793101
H -5.776525 0.805641 -0.189151


