%chk=000192887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192887

0 1
S 4.460476 -0.333935 -0.659826
O -1.971051 2.973188 -0.273919
O 0.952005 -2.083894 1.325600
O 5.346695 -1.474575 -0.678063
O 4.196025 0.411699 -1.865929
N -3.930835 0.058287 0.597324
N 2.989680 -0.974683 -0.040555
C -2.098654 1.672462 0.344104
C -3.219632 0.903298 -0.402355
C -4.411312 -1.250799 0.055982
C -0.755416 0.996758 0.200638
C -0.563212 -0.240664 0.842184
C 0.275847 1.562883 -0.548782
C -5.481654 -1.105247 -1.038326
C -4.953109 -2.071268 1.234847
C 1.748506 -0.296266 -0.015656
C 0.671352 -0.866711 0.730056
C 1.516377 0.921910 -0.665114
C 4.961046 0.783006 0.581393
H -2.347138 1.819187 1.421088
H -2.770145 0.280006 -1.206634
H -3.879834 1.627497 -0.923651
H -3.519574 -1.778468 -0.376466
H -4.709049 0.583062 1.007699
H -1.379972 -0.692866 1.405143
H 0.109930 2.517702 -1.056464
H -5.815516 -2.086189 -1.394839
H -6.370042 -0.576821 -0.678552
H -5.102157 -0.559681 -1.908290
H -4.221180 -2.116999 2.051237
H -5.175560 -3.098466 0.927872
H -5.873208 -1.645667 1.648912
H 2.284148 1.371090 -1.305025
H -2.681117 3.564576 0.033320
H 2.944468 -1.962058 0.262677
H 5.580192 1.604563 0.188287
H 4.125331 1.276607 1.101435
H 5.562511 0.308116 1.371727
H 0.153178 -2.457342 1.769423


%chk=000192887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192887

0 1
S 3.704071 -1.027519 -0.534214
O -2.319851 3.278092 -0.053191
O 0.869279 -1.467059 2.226983
O 4.214975 -2.541129 -0.176530
O 2.687918 -0.757006 -1.785287
N -3.712780 -0.194741 0.375588
N 3.006888 -0.032660 1.177242
C -2.400586 1.938092 0.544551
C -3.264580 1.000505 -0.360275
C -4.028926 -1.404937 -0.434642
C -0.975007 1.432603 0.721658
C -0.747297 0.226791 1.431549
C 0.124954 2.138668 0.165932
C -5.197560 -1.200939 -1.436867
C -4.315181 -2.580808 0.520583
C 1.685583 0.431819 1.016757
C 0.560744 -0.273141 1.556565
C 1.430882 1.642714 0.315672
C 5.258175 0.033013 -0.824538
H -2.898198 1.998737 1.539258
H -2.655080 0.680365 -1.224602
H -4.109166 1.612621 -0.768479
H -3.111994 -1.637698 -1.012504
H -4.473890 0.019074 1.037043
H -1.607181 -0.328449 1.825818
H -0.066203 3.072424 -0.366188
H -5.340205 -2.100791 -2.063381
H -6.145666 -1.006811 -0.898246
H -5.002357 -0.348035 -2.112266
H -3.460125 -2.748489 1.198636
H -4.502261 -3.510525 -0.045361
H -5.212346 -2.377541 1.138284
H 2.286218 2.187198 -0.097181
H -3.233920 3.588339 -0.273356
H 3.022229 -0.852969 1.823254
H 5.748095 -0.388675 -1.713341
H 4.905305 1.060181 -0.981872
H 5.870006 -0.061516 0.081798
H 0.053436 -1.936500 2.527657


