%chk=000113214.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113214

0 1
 S   0.8692000      -2.561600      0.5439000    
 S  -0.8780000      -2.560300     -0.5401000    
 O    1.417800      -3.897700      0.1521000    
 O   -1.422600      -3.903400     -0.1536000    
 C    5.299200      0.2952000      0.3075000    
 C   -5.298200      0.2949000     -0.3079000    
 C    3.978900      6.0000001E-03 -0.4103000    
 C   -3.978200      3.8000001E-03  0.4095000    
 C    6.174200       1.322000     -0.4188000    
 C   -6.171700       1.322700      0.4187000    
 C    3.156200      -1.040900      0.3440000    
 C   -3.157100      -1.044100     -0.3450000    
 C    7.482700       1.629000      0.3145000    
 C   -7.479900       1.631700     -0.3143000    
 C    1.825400      -1.298600     -0.3502000    
 C   -1.826600      -1.303800      0.3490000    
 C    8.382400       2.608700     -0.4434000    
 C   -8.378100       2.612600      0.4439000    
 C    9.672500       2.939100      0.2910000    
 C   -9.668000       2.944900     -0.2904000    
 H    5.863400     -0.6391000      0.4185000    
 H    5.087000      0.6591000       1.320500    
 H   -5.863800     -0.6386000     -0.4189000    
 H   -5.085800      0.6587000      -1.320900    
 H    4.184000     -0.3493000      -1.427300    
 H    3.402800      0.9347000     -0.5013000    
 H   -4.183600     -0.3513000       1.426500    
 H   -3.400800      0.9317000      0.5005000    
 H    6.403100      0.9481000      -1.424400    
 H    5.607900       2.252500     -0.5481000    
 H   -6.401000      0.9491000       1.424300    
 H   -5.604100       2.252400      0.5479000    
 H    3.729100      -1.974000      0.4153000    
 H    2.978800     -0.7000000       1.371800    
 H   -3.731900      -1.976200     -0.4164000    
 H   -2.979800     -0.7029000      -1.372900    
 H    7.251900       2.040800       1.304600    
 H    8.032000      0.6940000      0.4803000    
 H   -7.248700       2.043300      -1.304400    
 H   -8.030500      0.6975000     -0.4801000    
 H    1.230900     -0.3798000     -0.3780000    
 H    1.979000      -1.646600      -1.376900    
 H   -1.234100     -0.3837000      0.3785000    
 H   -1.983000      -1.648700       1.376500    
 H    8.631000       2.188400      -1.425200    
 H    7.832200       3.539400     -0.6262000    
 H   -8.627200       2.192600       1.425600    
 H   -7.826600       3.542500      0.6266000    
 H    10.26750       2.036000      0.4595000    
 H    9.462000       3.397900       1.262200    
 H    10.27490       3.640500     -0.2945000    
 H   -10.26430       2.042600     -0.4588000    
 H   -9.456900       3.403400      -1.261600    
 H   -10.26930       3.647100      0.2952000    


%chk=000113214-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113214

0 1
S 0.916361 5.784704 1.027700
S -0.899684 5.763135 -1.161536
O 0.003982 4.750599 1.987394
O 0.005687 4.700061 -2.095522
C 3.322137 0.964103 0.422040
C -3.328574 0.971638 -0.434008
C 2.992392 2.303402 -0.275786
C -2.987138 2.324556 0.230981
C 3.942941 -0.081176 -0.531960
C -3.938829 -0.051782 0.550158
C 2.351994 3.326348 0.693745
C -2.352303 3.323811 -0.766583
C 4.263015 -1.424775 0.161335
C -4.271033 -1.409149 -0.109694
C 2.022358 4.643192 -0.018418
C -2.012541 4.655257 -0.086944
C 4.875806 -2.475079 -0.793317
C -4.870247 -2.438036 0.876433
C 5.186660 -3.815953 -0.093630
C -5.193836 -3.793207 0.210937
H 2.395607 0.547639 0.869223
H 4.018713 1.149381 1.266228
H -2.408818 0.543566 -0.884252
H -4.035714 1.140637 -1.272788
H 2.300323 2.118448 -1.122305
H 3.919862 2.725827 -0.714732
H -2.287366 2.155402 1.074451
H -3.908572 2.760089 0.669830
H 3.248303 -0.262497 -1.378714
H 4.872446 0.332595 -0.976290
H -3.233141 -0.216825 1.391074
H -4.861269 0.373661 0.998184
H 1.421924 2.904082 1.119995
H 3.033993 3.512083 1.546677
H -1.427065 2.889235 -1.191100
H -3.040981 3.492842 -1.617617
H 4.961963 -1.246419 1.005368
H 3.334638 -1.837012 0.609613
H -4.982616 -1.247611 -0.946495
H -3.350115 -1.832220 -0.563264
H 2.905838 5.263390 -0.254129
H 1.439046 4.466215 -0.969477
H -2.891148 5.287355 0.134934
H -1.429181 4.497330 0.867423
H 4.178086 -2.649526 -1.637778
H 5.805021 -2.064066 -1.238390
H -4.159516 -2.595721 1.713362
H -5.791713 -2.016051 1.327285
H 4.268025 -4.263133 0.331297
H 5.903212 -3.672067 0.737184
H 5.625770 -4.548653 -0.795565
H -4.282863 -4.250250 -0.219975
H -5.924665 -3.666868 -0.610182
H -5.620976 -4.510206 0.936104


