%chk=000215108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215108

0 1
S -2.966528 1.093919 0.913276
O 2.859568 -0.839526 -1.719074
O 2.681549 1.220157 -1.079558
N 0.356294 0.545235 0.472205
N -0.515581 -1.556444 0.616638
N 2.312350 0.052343 -1.093620
C -0.645421 -0.241349 1.027486
C -1.715120 0.241682 1.919161
C 1.150424 -0.312852 -0.321311
C 0.534643 1.987801 0.648560
C 0.577091 -1.607612 -0.205380
C -3.756752 -0.278351 0.002165
C -4.676981 0.367243 -1.009582
H -2.168261 -0.605197 2.484863
H -1.351901 0.962643 2.681715
H 0.765398 2.231586 1.701134
H 1.374059 2.371848 0.023848
H -0.381996 2.533948 0.347852
H 0.928038 -2.516071 -0.679217
H -2.986253 -0.910370 -0.483227
H -4.309315 -0.927183 0.707165
H -5.450062 0.990735 -0.538550
H -4.134554 1.001676 -1.725124
H -5.202689 -0.397763 -1.600126


%chk=000215108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215108

0 1
S -3.022855 1.246578 0.877330
O 2.993327 -0.972198 -1.656765
O 2.848523 1.215372 -0.993326
N 0.430081 0.535252 0.473537
N -0.495914 -1.549056 0.619493
N 2.411289 -0.011808 -1.011339
C -0.596938 -0.238824 1.004896
C -1.691934 0.290635 1.862948
C 1.224463 -0.348949 -0.283935
C 0.575164 1.991320 0.684637
C 0.631125 -1.621012 -0.176474
C -3.757412 -0.200331 -0.117501
C -4.903137 0.330671 -0.990058
H -2.183192 -0.553544 2.369316
H -1.337407 1.012724 2.616267
H 1.012457 2.192777 1.678184
H 1.243801 2.401958 -0.081662
H -0.422148 2.455567 0.610916
H 0.974427 -2.546974 -0.628921
H -2.950738 -0.643483 -0.723589
H -4.111349 -0.950718 0.609631
H -5.703391 0.780455 -0.376224
H -4.545560 1.091989 -1.705915
H -5.344682 -0.500303 -1.570146


