%chk=000191612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191612

0 1
S 1.680668 -1.197407 0.811275
O -0.679550 1.760988 -0.471225
O -2.274094 0.747104 -1.675297
O 3.068019 0.243080 -1.431107
N -2.838807 -0.406108 1.002059
C -0.880668 -1.589166 -0.122395
C -1.473445 -0.280081 0.440837
C 0.554568 -1.448075 -0.598973
C 2.052775 0.575078 0.754342
C -1.580672 0.742051 -0.689955
C 3.268652 0.809728 -0.130695
H -0.947671 -2.377724 0.657422
H -1.510382 -1.953488 -0.964598
H -0.805080 0.130151 1.252014
H 0.676741 -0.626934 -1.336182
H 0.884032 -2.374264 -1.112697
H 1.174880 1.150179 0.383431
H 2.234277 0.916185 1.791699
H -2.836610 -0.979569 1.840018
H -3.485345 -0.820358 0.334215
H 4.196512 0.403101 0.310921
H 3.407272 1.887943 -0.351351
H -0.705029 2.460131 -1.178913
H 3.201859 -0.728946 -1.403047


%chk=000191612-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191612

0 1
S 1.727374 -1.203980 0.791296
O -0.757154 1.568119 -0.865084
O -2.962586 0.930719 -1.198471
O 3.605028 0.194121 -1.348204
N -2.865813 -0.561198 1.150472
C -0.945362 -1.542735 -0.210236
C -1.598234 -0.282715 0.468733
C 0.513102 -1.384026 -0.673453
C 2.208971 0.638539 0.668860
C -1.881538 0.776261 -0.590569
C 3.575794 0.803443 -0.015523
H -0.998284 -2.359996 0.534843
H -1.575212 -1.851494 -1.070411
H -0.863662 0.124354 1.187745
H 0.662279 -0.507306 -1.323704
H 0.841260 -2.285974 -1.217403
H 1.407065 1.141538 0.105505
H 2.225197 1.025452 1.702602
H -2.833557 -1.313766 1.839807
H -3.685908 -0.571932 0.538391
H 4.378216 0.385069 0.628136
H 3.783670 1.874944 -0.184445
H -0.979274 2.218513 -1.586781
H 3.401530 -0.772353 -1.220310


