%chk=000203307.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203307

0 1
S -4.055727 -0.055591 -0.623718
P 2.898481 0.304478 0.531919
O 1.765813 -0.646455 -0.263401
O 3.559500 1.045709 -0.773031
O 3.988756 -0.841970 0.857822
O -4.455119 -1.034239 -1.627244
O -4.697168 -0.097391 0.683472
O 2.437094 1.144538 1.640452
C -2.341897 -0.141344 -0.449897
C -1.647790 0.515937 0.579316
C 0.419695 -0.405941 -0.257222
C -0.249455 0.396852 0.667752
C -1.641057 -0.953762 -1.359647
C -0.263905 -1.090085 -1.286795
C -2.358807 1.354051 1.583583
C -4.348521 1.542478 -1.299454
C 3.195075 2.436829 -0.997953
C 4.449938 -1.655849 -0.281220
C 1.785514 2.552900 -1.546029
C 5.538606 -2.508649 0.335627
H 0.281481 0.906392 1.481491
H -2.197537 -1.493112 -2.141179
H 0.293336 -1.715694 -1.979196
H -1.734721 1.600459 2.455304
H -2.706788 2.306486 1.162899
H -3.259588 0.839004 1.988983
H -3.441876 2.101790 -1.547314
H -4.932732 1.490691 -2.231074
H -4.935754 2.179822 -0.623568
H 3.344551 3.022271 -0.069465
H 3.960022 2.728004 -1.748169
H 3.593609 -2.257310 -0.644344
H 4.832959 -0.987531 -1.076549
H 1.645061 3.507410 -2.069928
H 1.569672 1.753996 -2.271122
H 1.014796 2.506062 -0.763759
H 5.943289 -3.229144 -0.384089
H 6.368263 -1.891894 0.708819
H 5.157032 -3.069198 1.202431


%chk=000203307-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203307

0 1
S -4.269819 -0.072825 -0.754099
P 2.908648 0.234367 0.498109
O 1.691367 -0.947345 0.056585
O 3.238330 0.962111 -1.034818
O 4.200492 -0.828814 0.791232
O -4.605712 -1.136510 -1.954164
O -5.097350 -0.125213 0.657939
O 2.585835 1.234650 1.683323
C -2.388851 -0.208451 -0.439234
C -1.750455 0.479509 0.620945
C 0.319666 -0.636831 -0.104994
C -0.359691 0.239769 0.772905
C -1.733049 -1.099523 -1.307263
C -0.351151 -1.313810 -1.146526
C -2.461618 1.429060 1.568654
C -4.532008 1.673203 -1.495623
C 3.267919 2.460531 -1.125477
C 4.627159 -1.830297 -0.248428
C 1.869124 3.019841 -1.384365
C 5.858742 -2.516769 0.329159
H 0.187277 0.728525 1.586870
H -2.311699 -1.615487 -2.081635
H 0.204619 -1.992793 -1.798201
H -1.891671 1.537148 2.505689
H -2.548616 2.440421 1.124426
H -3.478349 1.073193 1.807115
H -3.904283 1.736116 -2.394926
H -5.604166 1.710553 -1.734675
H -4.256067 2.405041 -0.724697
H 3.706266 2.875415 -0.199329
H 3.950677 2.640573 -1.971891
H 3.790349 -2.532273 -0.410391
H 4.846949 -1.288783 -1.186816
H 1.930078 4.111806 -1.551127
H 1.422269 2.555776 -2.280238
H 1.206062 2.842033 -0.519552
H 6.223112 -3.282814 -0.380384
H 6.667585 -1.788418 0.506156
H 5.616131 -3.011686 1.284246


