%chk=000222080.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222080

0 1
S 2.928100 1.007260 -0.106728
O -2.088846 1.672088 -0.455486
O -0.462933 -2.593673 0.049552
N 1.074741 -0.868869 -0.072347
N -1.321752 -0.451174 -0.105882
N 0.220141 2.071443 1.458919
C 0.270625 1.487937 0.098904
C 1.383820 0.468935 -0.051604
C -1.150779 0.972809 -0.178957
C -0.276758 -1.399219 -0.026460
C 2.172999 -1.872557 -0.150350
C -2.709672 -0.996649 -0.147131
H 0.445083 2.325434 -0.650762
H 1.760738 -2.900248 -0.139746
H 2.860759 -1.765178 0.709063
H 2.756638 -1.737603 -1.080089
H -2.731123 -1.976064 -0.657484
H -3.371871 -0.295989 -0.690340
H -3.098528 -1.125752 0.877437
H 0.913811 2.810944 1.559649
H 0.396207 1.373424 2.176542


%chk=000222080-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222080

0 1
S 2.962221 1.066875 -0.551561
O -2.085176 1.726426 -0.636321
O -0.494511 -2.562971 0.261261
N 1.078248 -0.840236 -0.040345
N -1.317021 -0.416003 -0.102799
N 0.254768 1.927711 1.476336
C 0.257111 1.499699 0.059994
C 1.390981 0.505759 -0.215648
C -1.141534 0.980360 -0.283077
C -0.262602 -1.340868 0.070888
C 2.164591 -1.852825 -0.039603
C -2.685463 -0.988311 -0.174402
H 0.426794 2.392278 -0.559317
H 1.719934 -2.830189 0.191204
H 2.920975 -1.574618 0.711911
H 2.653759 -1.873969 -1.027671
H -2.773169 -1.665715 -1.039297
H -3.384850 -0.147118 -0.282823
H -2.897605 -1.560119 0.742351
H 1.002715 2.592713 1.694603
H 0.181236 1.168421 2.161018


