%chk=000187878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187878

0 1
S 4.648773 -0.959004 -0.269614
O 3.218552 -0.561568 0.607595
O 4.245072 -1.606462 -1.481312
O 5.530628 -1.606140 0.653219
C -0.845856 0.709035 -0.284653
C 0.442715 0.536861 0.528897
C -2.061047 0.161914 0.476592
C 1.658795 1.090424 -0.224916
C -3.352836 0.331359 -0.334353
C 2.948509 0.850141 0.569740
C -4.568016 -0.215220 0.427198
C -5.860077 -0.045847 -0.383039
C 4.146210 1.531338 -0.080195
C -7.076547 -0.591974 0.377875
C 5.078523 0.703342 -0.542660
C -8.365548 -0.426680 -0.424151
H -0.749034 0.188236 -1.257768
H -1.003648 1.777249 -0.527177
H 0.613866 -0.538778 0.750802
H 0.341236 1.035038 1.511693
H -2.158969 0.675385 1.452346
H -1.904345 -0.908636 0.714273
H 1.528749 2.170517 -0.425635
H 1.734900 0.594580 -1.215855
H -3.509916 1.400178 -0.575565
H -3.256324 -0.186596 -1.308311
H 2.842119 1.146353 1.641341
H -4.664779 0.300105 1.402134
H -4.411711 -1.285016 0.666333
H -5.765326 -0.562523 -1.357483
H -6.018004 1.022727 -0.624372
H 4.162593 2.615504 -0.126561
H -7.174107 -0.075062 1.352527
H -6.920717 -1.662099 0.617724
H 6.002423 0.978368 -1.034980
H -9.227542 -0.819562 0.126476
H -8.316875 -0.959751 -1.380504
H -8.570537 0.626565 -0.646662


%chk=000187878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187878

0 1
S 4.922391 -1.035362 -0.140228
O 3.248678 -0.566146 0.687057
O 4.655422 -1.929413 -1.458079
O 5.942084 -1.581427 0.984084
C -0.855934 0.728968 -0.283492
C 0.461143 0.520582 0.495467
C -2.085616 0.141473 0.445135
C 1.683324 1.105149 -0.244407
C -3.410524 0.357712 -0.319890
C 3.002127 0.876894 0.533645
C -4.636873 -0.245010 0.401955
C -5.965459 -0.021327 -0.354854
C 4.188112 1.539011 -0.159086
C -7.189648 -0.632207 0.364907
C 5.215428 0.778055 -0.567505
C -8.513462 -0.403835 -0.396335
H -0.768226 0.260916 -1.286035
H -1.018307 1.813860 -0.458149
H 0.628816 -0.559665 0.666986
H 0.373830 0.992927 1.496615
H -2.167151 0.597134 1.454325
H -1.928777 -0.945181 0.606908
H 1.544891 2.196952 -0.391560
H 1.780290 0.644744 -1.246087
H -3.573401 1.445454 -0.472664
H -3.326507 -0.088962 -1.332805
H 2.916756 1.296751 1.559555
H -4.716335 0.194337 1.418631
H -4.477077 -1.334084 0.546693
H -5.886476 -0.456482 -1.373314
H -6.130322 1.067819 -0.495030
H 4.157353 2.622599 -0.318077
H -7.266899 -0.198284 1.382903
H -7.024314 -1.720292 0.503428
H 6.144473 0.999462 -1.091377
H -9.371999 -0.849452 0.139140
H -8.472823 -0.855917 -1.405499
H -8.717084 0.676550 -0.521965


