%chk=000151981.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151981

0 1
 S    8.549700      -1.445300      0.3141000    
 O    4.010400      0.4420000      -1.070100    
 O   -1.421800       3.005100       1.001900    
 O   0.6735000       3.798000     -0.4512000    
 O    8.909600      -2.699000       1.293700    
 O   -7.783600      -2.380100     -0.2868000    
 O    8.883700     -0.2086000      0.9973000    
 O    9.051500      -1.735700      -1.017100    
 O   -7.103700      -1.366900       2.210300    
 C   -3.692500       1.500600      0.1857000    
 C   -2.320500      0.8539000      0.3901000    
 C    6.106000     -0.4943000     -0.3910000    
 C   -4.782600      0.4674000      6.3000001E-02
 C    6.796700      -1.646300      0.3174000    
 C    4.595300     -0.6714000     -0.4092000    
 C   -1.179000       1.876700      0.5293000    
 C   0.1696000       1.520800      0.1107000    
 C    2.745000      0.7976000     -0.6808000    
 C    1.051200       2.491300     -0.3654000    
 C   0.5756000      0.1888000      0.1910000    
 C   -5.450700      2.0099999E-02   1.202900    
 C   -5.123400     -4.1900001E-02  -1.190000    
 C    2.338900       2.129700     -0.7612000    
 C    1.863400     -0.1727000     -0.2048000    
 C   -6.459500     -0.9364000       1.089700    
 C   -6.132200     -0.9985000      -1.303200    
 C   -6.800200      -1.445800     -0.1632000    
 C   -8.070600      -2.849200      -1.602800    
 H   -3.678100       2.136300     -0.7090000    
 H   -3.922800       2.177000       1.019000    
 H   -2.109600      0.2013000     -0.4658000    
 H   -2.322200      0.2370000       1.296800    
 H    6.353800      0.4591000      9.2500001E-02
 H    6.474100     -0.4014000      -1.420700    
 H    6.475600      -1.695000       1.363200    
 H    6.571400      -2.601000     -0.1682000    
 H    4.330700      -1.588500     -0.9481000    
 H    4.254800     -0.7491000      0.6316000    
 H  -8.3400004E-02 -0.5887000      0.5670000    
 H   -5.182200      0.4166000       2.179200    
 H   -4.607900      0.2984000      -2.084300    
 H    3.032700       2.879600      -1.133300    
 H    2.131400      -1.223600     -0.1493000    
 H   -6.342900      -1.349400      -2.307500    
 H    1.414600       4.321000     -0.8021000    
 H    8.767500      -3.594500      0.9060000    
 H   -6.736100     -0.9064000       2.984100    
 H   -8.876300      -3.585500      -1.513800    
 H   -7.212400      -3.369000      -2.042200    
 H   -8.444900      -2.044900      -2.245300    


%chk=000151981-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151981

0 1
S 8.614643 -1.896141 0.243950
O 4.191294 0.843957 -0.017054
O -1.779715 3.492819 -0.315043
O 0.812452 4.247440 -0.196273
O 8.750888 -3.753772 0.282540
O -7.631434 -2.710308 0.126486
O 9.063611 -1.275775 1.667914
O 9.262399 -1.319744 -1.120663
O -6.661229 -1.561562 2.345435
C -3.874793 1.666843 -0.316068
C -2.418099 1.148671 -0.239475
C 6.146114 -0.535117 0.085826
C -4.883645 0.531079 -0.239200
C 6.698736 -1.961252 0.111412
C 4.611382 -0.565466 0.014977
C -1.382690 2.292947 -0.254280
C 0.068000 1.921387 -0.191319
C 2.817873 1.116632 -0.074558
C 1.129269 2.891948 -0.165791
C 0.459440 0.554065 -0.154395
C -5.307483 0.026955 1.019066
C -5.403848 -0.075007 -1.404381
C 2.480858 2.485581 -0.107795
C 1.799125 0.130612 -0.098164
C -6.216491 -1.045653 1.116953
C -6.315993 -1.154806 -1.322174
C -6.731823 -1.653729 -0.067187
C -8.187317 -3.335474 -1.074060
H -3.999544 2.234437 -1.255451
H -4.033632 2.394683 0.500321
H -2.226890 0.460148 -1.087023
H -2.284917 0.543355 0.680194
H 6.450386 0.015002 0.994641
H 6.533766 0.016417 -0.789534
H 6.413685 -2.548763 0.998418
H 6.537226 -2.535051 -0.814638
H 4.259545 -1.084288 -0.900336
H 4.178633 -1.068864 0.903804
H -0.317454 -0.215067 -0.171889
H -4.928445 0.491303 1.941217
H -5.104494 0.301336 -2.389559
H 3.292119 3.222975 -0.087381
H 2.029745 -0.937359 -0.074257
H -6.705195 -1.597884 -2.243824
H 1.639585 4.795325 -0.171180
H 9.718499 -3.997219 0.346851
H -6.260117 -1.049213 3.091538
H -8.862066 -4.119053 -0.699472
H -7.393564 -3.792690 -1.697684
H -8.760796 -2.607461 -1.681337


