%chk=000211345.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211345

0 1
S -1.560829 -0.760235 -1.421089
O -1.843869 2.158964 0.031630
N -1.540679 -0.725862 1.199138
N 0.454447 1.923134 -0.161840
C -0.786173 -0.116112 0.102942
C 0.689278 -0.379066 0.110022
C -2.994478 -0.802325 0.840235
C -0.877228 1.443169 -0.017305
C -3.095135 -1.315500 -0.594902
C 1.391036 0.853543 -0.084205
C 1.390091 -1.562068 0.247426
C 2.776615 0.902096 -0.152161
C 2.797662 -1.519527 0.184720
C 3.470262 -0.315003 -0.014525
H -1.392699 -0.244402 2.092477
H -3.512676 0.180038 0.939475
H -3.471231 -1.508225 1.556442
H -3.147937 -2.418263 -0.642263
H -3.969589 -0.904819 -1.128879
H 0.709097 2.887853 -0.313160
H 0.863001 -2.504790 0.401113
H 3.311905 1.833116 -0.304998
H 3.361112 -2.444477 0.291188
H 4.559918 -0.306338 -0.065083


%chk=000211345-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211345

0 1
S -1.646269 -0.779858 -1.557511
O -1.885955 2.203657 0.075060
N -1.567025 -0.725974 1.123159
N 0.454028 1.922979 -0.155058
C -0.790505 -0.101022 0.058314
C 0.696069 -0.368103 0.081748
C -3.017534 -0.720733 0.830833
C -0.868108 1.471444 -0.015865
C -3.148171 -1.384280 -0.557570
C 1.392667 0.860072 -0.079990
C 1.401941 -1.571299 0.214951
C 2.796536 0.914241 -0.123917
C 2.820446 -1.537215 0.183528
C 3.502819 -0.308727 0.010570
H -1.286004 -0.453079 2.071789
H -3.448623 0.300286 0.796722
H -3.544479 -1.312638 1.601486
H -3.086693 -2.481052 -0.492634
H -4.063615 -1.069581 -1.081299
H 0.690384 2.912306 -0.235117
H 0.856107 -2.512611 0.333185
H 3.333755 1.859833 -0.252837
H 3.391994 -2.465435 0.286476
H 4.598137 -0.298309 -0.019625


