%chk=000216899.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216899

0 1
S 3.438135 0.994717 0.004346
O -0.930839 1.898279 0.005223
O -3.098055 -1.695021 -0.004606
N -2.889240 0.591771 0.000792
N 0.450469 1.745976 0.005343
C 0.736046 0.427786 0.001811
C 2.076094 -0.093908 0.000891
C -0.494388 -0.342315 -0.000775
C -1.494312 0.599497 0.001419
C 2.507100 -1.394357 -0.002511
C 3.942701 -1.509194 -0.002305
C 4.583867 -0.304790 0.001293
C -3.649944 -0.620191 -0.002292
C -5.128889 -0.390110 -0.002283
H -0.591129 -1.412681 -0.003701
H 1.858801 -2.260832 -0.005137
H -3.349771 1.505497 0.002768
H 4.434709 -2.472794 -0.004772
H 5.644268 -0.116794 0.002205
H -5.474192 0.156039 0.887562
H -5.659327 -1.359616 -0.004433
H -5.473603 0.159641 -0.890139


%chk=000216899-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216899

0 1
S 3.510080 1.068788 0.004189
O -0.972921 1.914909 0.005245
O -3.094189 -1.754469 -0.005243
N -2.895692 0.569014 0.001021
N 0.495938 1.801979 0.005430
C 0.726800 0.454912 0.001952
C 2.086941 -0.055584 0.001020
C -0.491739 -0.322764 -0.000508
C -1.504877 0.617297 0.001642
C 2.504427 -1.384998 -0.002227
C 3.933015 -1.545869 -0.002318
C 4.618735 -0.340443 0.000848
C -3.648943 -0.620694 -0.002432
C -5.156779 -0.402746 -0.002502
H -0.613428 -1.399486 -0.003387
H 1.804314 -2.224245 -0.004480
H -3.379552 1.470819 0.003229
H 4.433233 -2.516915 -0.004652
H 5.692842 -0.163280 0.001522
H -5.478170 0.159350 0.893667
H -5.654097 -1.382454 -0.004979
H -5.477435 0.163479 -0.896336


