%chk=000232621.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232621

0 1
S 2.133095 0.507894 0.131413
O 2.693364 0.148337 -1.153184
O 2.477827 1.758214 0.772395
O -4.509087 0.642726 0.569523
O -4.297274 -0.549309 -1.224727
N 2.497685 -0.705191 1.292133
N -3.845751 0.089357 -0.290052
C 0.392135 0.392600 0.007157
C 2.976794 -2.025186 0.805456
C -0.410460 1.011897 0.966957
C -0.174775 -0.311823 -1.057354
C -2.362167 0.199956 -0.188712
C -1.803507 0.917775 0.875808
C -1.565196 -0.415010 -1.162872
C 4.393196 -1.994483 0.237330
H 3.027794 -0.390113 2.118389
H 2.920176 -2.737090 1.662538
H 2.265134 -2.404616 0.036911
H 0.041234 1.581980 1.787946
H 0.464935 -0.774469 -1.820434
H -2.451860 1.395703 1.618869
H -2.030664 -0.962725 -1.989960
H 4.450838 -1.364641 -0.667415
H 5.125105 -1.606185 0.953144
H 4.725127 -2.997300 -0.055659


%chk=000232621-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232621

0 1
S 2.045656 0.164856 -0.035718
O 2.542100 -0.181913 -1.548255
O 2.551227 1.483166 0.783406
O -4.654304 1.228275 0.680339
O -4.688081 -0.256006 -1.051992
N 2.335826 -1.394136 0.991200
N -4.070970 0.456025 -0.171703
C 0.155409 0.233274 -0.066044
C 3.446485 -2.233085 0.448188
C -0.482014 1.081371 0.853732
C -0.520463 -0.534258 -1.028869
C -2.583170 0.379518 -0.135312
C -1.890007 1.156311 0.818109
C -1.927507 -0.458814 -1.064326
C 4.869897 -1.703466 0.707162
H 2.552582 -1.019727 1.938171
H 3.296180 -3.228786 0.909470
H 3.267162 -2.345826 -0.636138
H 0.109038 1.680859 1.553184
H 0.037354 -1.151523 -1.739332
H -2.450083 1.797480 1.503213
H -2.516701 -1.027841 -1.787601
H 5.028007 -0.736949 0.196488
H 5.060172 -1.563417 1.787754
H 5.619904 -2.417092 0.320473


