%chk=000209696.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209696

0 1
S -0.702630 0.225898 2.307991
P -0.612149 0.024415 0.408379
O 0.429721 0.992258 -0.389641
O -1.999361 0.284790 -0.422385
O -0.181478 -1.453084 -0.156979
C 1.832442 1.036736 0.071175
C 2.590223 -0.059194 -0.689614
C 2.237755 2.451787 -0.312521
C 3.983366 -0.274728 -0.111193
C -2.697234 1.543564 -0.139651
C -0.934717 -2.595620 0.370208
C -3.919872 1.457353 -1.033068
C -0.258933 -3.780117 -0.293824
H 1.882678 0.888515 1.174937
H 2.017263 -1.013631 -0.659868
H 2.647181 0.197587 -1.765813
H 1.938919 2.677920 -1.346350
H 1.746642 3.194315 0.328697
H 3.321123 2.594110 -0.235812
H 4.513557 -1.066648 -0.654446
H 3.943845 -0.576041 0.943001
H 4.598257 0.630460 -0.174913
H -2.966947 1.585517 0.934235
H -2.037672 2.388035 -0.416595
H -0.841369 -2.627071 1.473828
H -1.993564 -2.494076 0.064371
H -4.525575 2.368261 -0.973839
H -3.629803 1.304569 -2.082829
H -4.554543 0.603873 -0.758071
H -0.756961 -4.721701 -0.037132
H -0.266881 -3.674999 -1.388377
H 0.795115 -3.856753 0.005800


%chk=000209696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209696

0 1
S -0.423120 0.028614 2.334103
P -0.537174 -0.102667 0.266388
O 0.549854 0.866058 -0.649264
O -2.045289 0.314959 -0.464097
O -0.293894 -1.649556 -0.454771
C 1.921674 1.168282 -0.097587
C 2.825964 -0.067859 -0.261623
C 2.369380 2.403670 -0.881288
C 4.223757 0.131042 0.365586
C -2.748125 1.542099 0.015253
C -1.112714 -2.793307 0.054818
C -4.100656 1.557486 -0.690097
C -0.545295 -4.046289 -0.604385
H 1.800875 1.405529 0.980327
H 2.329557 -0.934844 0.215532
H 2.912126 -0.305111 -1.339011
H 2.458938 2.167135 -1.955977
H 1.640014 3.222517 -0.762050
H 3.349684 2.755377 -0.513579
H 4.810611 -0.802717 0.304134
H 4.146112 0.406871 1.434292
H 4.799044 0.920763 -0.150502
H -2.851832 1.488863 1.116277
H -2.136979 2.425211 -0.250633
H -1.029617 -2.830210 1.158585
H -2.167131 -2.618386 -0.228198
H -4.671043 2.454496 -0.385446
H -3.969044 1.581084 -1.784947
H -4.688809 0.662030 -0.426618
H -1.121446 -4.932646 -0.279979
H -0.608301 -3.970431 -1.702965
H 0.511277 -4.191763 -0.322576


