%chk=000194002.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194002

0 1
S 2.587093 1.412572 0.115679
O 4.864401 0.044224 0.063467
N -0.087320 1.003081 0.085937
N 1.369353 -0.943990 0.003888
C -1.394263 0.415940 0.055412
C 1.120618 0.331634 0.060560
C 2.793101 -1.287221 -0.005235
C -2.479831 1.319946 0.092442
C -1.621738 -0.967202 -0.007262
C 3.684437 -0.061120 0.053772
C -3.782021 0.823382 0.066096
C -2.936578 -1.439770 -0.032514
C -4.017317 -0.554874 0.003667
H -0.052120 2.025695 0.130418
H 3.019531 -1.884266 -0.925775
H 3.011727 -1.964487 0.859998
H -2.313362 2.392891 0.141049
H -0.793537 -1.679653 -0.036639
H -4.622503 1.516917 0.094518
H -3.115197 -2.514505 -0.081111
H -5.036175 -0.933995 -0.016566


%chk=000194002-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194002

0 1
S 2.635187 1.506056 0.114712
O 4.942841 -0.066807 0.054972
N -0.085733 0.991361 0.085425
N 1.361935 -0.930353 0.008123
C -1.391203 0.418420 0.055929
C 1.134388 0.350628 0.061566
C 2.770408 -1.290318 -0.002811
C -2.491191 1.318326 0.094293
C -1.624517 -0.980266 -0.009263
C 3.706638 -0.055296 0.051552
C -3.810468 0.825197 0.067320
C -2.953508 -1.456354 -0.035681
C -4.051551 -0.567542 0.001900
H -0.051731 2.011530 0.129209
H 3.026965 -1.862230 -0.916631
H 3.021877 -1.936128 0.861835
H -2.313858 2.400641 0.145124
H -0.773916 -1.663523 -0.037810
H -4.649239 1.529204 0.097454
H -3.127882 -2.537008 -0.086333
H -5.077143 -0.950340 -0.019085


