%chk=000191989.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191989

0 1
S -0.997834 -3.444788 0.248407
S 0.098956 -2.375942 -1.105814
O -4.182989 -0.565637 -1.317509
O -0.643303 0.709130 1.363057
O 4.216188 -0.638883 0.633485
O 1.254517 2.623678 -0.765202
N -2.487746 -0.231688 0.271813
N 2.549735 0.724486 -0.304981
C -2.698541 -1.417684 1.133945
C 1.777998 -0.291442 -1.062266
C -2.645964 -2.722142 0.350056
C 1.216580 -1.349820 -0.115370
C -3.252631 0.075934 -0.911788
C -1.436313 0.729482 0.457410
C 3.699874 0.437213 0.517233
C 2.175327 2.105407 -0.189321
C -2.618977 1.338435 -1.462723
C -1.590674 1.706516 -0.691371
C 4.063738 1.770605 1.146245
C 3.200653 2.712027 0.749787
H -3.701072 -1.315070 1.618954
H -1.938389 -1.393375 1.953954
H 2.458222 -0.755060 -1.817094
H 0.967489 0.240276 -1.619164
H -3.098221 -2.610284 -0.660886
H -3.265721 -3.498451 0.854566
H 0.696265 -0.893575 0.754034
H 2.031121 -1.973680 0.312125
H -3.012018 1.795526 -2.358416
H -0.901987 2.541235 -0.790692
H 4.914789 1.842066 1.807151
H 3.153625 3.761506 0.999476


%chk=000191989-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191989

0 1
S -0.981943 -3.455225 0.494205
S 0.115258 -2.300617 -1.141266
O -4.489131 -0.505076 -1.371655
O -0.840195 0.586534 1.367667
O 4.605997 -0.580916 0.407988
O 1.316664 2.640524 -0.517503
N -2.730564 -0.274320 0.211658
N 2.746649 0.757230 -0.238234
C -3.039237 -1.428473 1.063164
C 1.980694 -0.236365 -1.004715
C -2.755645 -2.789124 0.397178
C 1.328305 -1.287895 -0.078191
C -3.472509 0.096840 -0.942933
C -1.658536 0.631920 0.413319
C 3.987163 0.510497 0.412139
C 2.349780 2.106532 -0.043431
C -2.791646 1.318515 -1.502945
C -1.724379 1.628738 -0.716420
C 4.377836 1.810219 1.072418
C 3.420762 2.740770 0.807930
H -4.116488 -1.386689 1.315463
H -2.455634 -1.315360 1.993469
H 2.654288 -0.725592 -1.730622
H 1.207362 0.324886 -1.559775
H -3.078071 -2.800422 -0.655136
H -3.317503 -3.579049 0.931391
H 0.753791 -0.804486 0.725198
H 2.079788 -1.974104 0.339339
H -3.150504 1.814212 -2.404778
H -0.981338 2.420213 -0.815012
H 5.296088 1.907902 1.651353
H 3.365597 3.784180 1.117840


