%chk=000236057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236057

0 1
S 1.283702 0.002879 -0.449570
O 1.532539 -1.422206 -0.643815
O 1.734220 0.960972 -1.449720
N -1.120848 1.356520 -0.263073
N 2.074097 0.509460 0.990957
N -2.554634 -0.281829 0.392364
N -0.958001 -2.135555 0.610715
C -0.360395 0.179775 -0.144255
C -1.275983 -0.826666 0.270613
C -2.422747 1.047328 0.068845
C -0.588110 2.659544 -0.663098
C 2.053376 -0.456798 2.113981
H -3.245265 1.751285 0.070611
H 2.993950 0.954137 0.885653
H -0.157433 3.194826 0.205013
H 0.233314 2.541363 -1.414592
H -1.369372 3.289982 -1.118214
H 2.573622 -1.405459 1.891121
H 1.008374 -0.695591 2.387699
H 2.522668 -0.006794 3.004934
H -0.118953 -2.524518 0.163834
H -1.733422 -2.785456 0.672499


%chk=000236057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236057

0 1
S 1.326468 -0.167671 -0.482413
O 1.559645 -1.796207 -0.381983
O 1.872289 0.685874 -1.763802
N -1.096220 1.291642 -0.192725
N 2.113086 0.739900 0.977726
N -2.647169 -0.329270 0.220649
N -1.232233 -2.304141 0.185949
C -0.422756 0.046401 -0.170093
C -1.399253 -0.950428 0.079606
C -2.418107 0.997018 0.048649
C -0.485787 2.608241 -0.430848
C 2.109739 -0.080893 2.217747
H -3.187886 1.764385 0.092468
H 3.070187 0.963109 0.638100
H 0.308085 2.793007 0.312651
H -0.038684 2.646387 -1.438549
H -1.266719 3.379527 -0.340762
H 2.664686 -1.035713 2.136826
H 1.066189 -0.295602 2.504751
H 2.559485 0.535263 3.017154
H -0.301009 -2.693592 0.018976
H -2.049335 -2.890041 0.332426


