%chk=000086943.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086943

0 1
 S    2.115500       1.843500      -1.461200    
 O   0.6400000       2.248000       1.158100    
 O   -2.037000       1.699900       1.590200    
 O   -2.753600       1.162000      -1.093500    
 O   -2.867800      -1.670000       1.186100    
 O   -3.781300      -2.122300      -1.426700    
 O    4.749200      -1.729900     -0.2244000    
 O    3.244700      -1.699500       1.487800    
 N    1.507400     -0.2118000      0.1257000    
 C   0.8317000      0.7956000     -0.7055000    
 C  -0.1322000       1.634700      0.1213000    
 C   -1.265600      0.8169000      0.7678000    
 C   -2.222300      0.1457000     -0.2341000    
 C    2.760000     -0.5376000     -0.5704000    
 C    3.461600      0.7684000     -0.9133000    
 C   -3.410000     -0.5927000      0.4119000    
 C   -4.417700      -1.175600     -0.5771000    
 C    3.577400      -1.375300      0.3575000    
 H   0.3089000      0.3030000      -1.531900    
 H  -0.5509000       2.453300     -0.4768000    
 H  -0.8522000      6.1000001E-02   1.445300    
 H   -1.661000     -0.5629000     -0.8536000    
 H    2.539100      -1.130200      -1.468300    
 H   0.9228000      -1.041500      0.2182000    
 H    3.957200       1.218400     -4.6399999E-02
 H    4.199300      0.6409000      -1.711000    
 H   -3.951300      7.4500002E-02   1.091500    
 H   8.7700002E-02   2.934900       1.567800    
 H   -4.872800     -0.3945000      -1.193400    
 H   -5.208400      -1.705000     -3.5100002E-02
 H   -1.485700       1.948300       2.351300    
 H   -2.054500       1.413000      -1.720500    
 H   -2.435400      -2.287700      0.5716000    
 H   -4.462400      -2.468900      -2.028100    
 H    5.302000      -2.280100      0.3705000    


%chk=000086943-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086943

0 1
S 2.815986 0.214306 -2.505292
O 0.487183 1.260320 -0.562325
O -0.416247 -1.412485 0.669135
O -1.748826 0.807233 0.971473
O -3.711152 -1.678261 -1.086107
O -5.042571 0.593063 -0.658781
O 3.306326 1.807189 1.805319
O 1.572080 0.325873 2.231665
N 2.142655 -1.086445 -0.209048
C 1.497209 -0.753919 -1.501411
C 0.187409 0.033068 -1.307108
C -0.890703 -0.841434 -0.603533
C -2.133350 0.001500 -0.216233
C 3.065511 -0.012137 0.257551
C 3.380220 1.014491 -0.890894
C -3.349812 -0.899596 0.107362
C -4.556051 -0.074616 0.573299
C 2.517709 0.688910 1.506146
H 1.289241 -1.679561 -2.066034
H -0.206721 0.299415 -2.310946
H -1.205408 -1.651934 -1.289373
H -2.407253 0.725260 -1.003253
H 4.015114 -0.486092 0.577341
H 2.644208 -1.980207 -0.282235
H 2.811780 1.940597 -0.751278
H 4.458518 1.217499 -0.965804
H -3.058837 -1.631782 0.880729
H -0.260634 1.420620 0.095018
H -4.234920 0.665037 1.330178
H -5.338619 -0.743301 0.983019
H 0.598018 -1.316803 0.693022
H -1.219856 0.151066 1.527309
H -4.323712 -1.090525 -1.608913
H -5.863544 1.107026 -0.469544
H 2.961447 2.243125 2.630845


