%chk=000087176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087176

0 1
 S    2.361200      0.1816000       1.472400    
 S  -0.7501000       1.981000     -0.6266000    
 S    3.350600      -1.471100      0.6596000    
 S   -2.684900       2.095900      0.1584000    
 O    3.879400      -2.265700       1.751000    
 O    4.217700      -1.006200     -0.4053000    
 O   -3.521700       2.793400     -0.7983000    
 O   -2.593700       2.550600       1.532000    
 N    1.983100       3.642600     -0.7426000    
 C    1.755200       2.734800      0.3903000    
 C    2.419800       1.376500      9.8899998E-02
 C   0.2512000       2.696800      0.7135000    
 C    1.403100       4.953000     -0.4633000    
 C    3.412600       3.757800      -1.016400    
 C    2.027500      -2.377200     -7.9899997E-02
 C   -3.185200      0.4025000      0.1835000    
 C    1.682500      -2.119600      -1.396400    
 C   -2.930800     -0.3625000       1.309800    
 C    1.357100      -3.330000      0.6692000    
 C   -3.823000     -0.1321000     -0.9236000    
 C   0.6372000      -2.835000      -1.980300    
 C   -3.325500      -1.700100       1.329500    
 C   0.3117000      -4.045400      8.5100003E-02
 C   -4.217800      -1.469800     -0.9038000    
 C  -4.8200000E-02  -3.797800      -1.239700    
 C   -3.969000      -2.253800      0.2229000    
 H    2.251200       3.150800       1.280900    
 H    1.995700      0.9107000     -0.7960000    
 H    3.491900       1.495300     -7.0100002E-02
 H   9.9799998E-02   2.059000       1.591700    
 H  -0.1518000       3.670000       1.008200    
 H    1.725600       5.681500      -1.218200    
 H    1.700500       5.349300      0.5146000    
 H   0.3121000       4.956700     -0.5448000    
 H    3.805600       2.873700      -1.528200    
 H    4.005000       3.960900     -0.1167000    
 H    3.603500       4.577300      -1.720900    
 H    2.200100      -1.371600      -1.988900    
 H   -2.423800      4.7699999E-02   2.177800    
 H    1.617100      -3.532100       1.703700    
 H   -4.019200      0.4595000      -1.812500    
 H   0.3553000      -2.640900      -3.011100    
 H   -3.128900      -2.311700       2.205300    
 H  -0.2243000      -4.793100      0.6624000    
 H   -4.716700      -1.901900      -1.766300    
 H  -0.8636000      -4.353300      -1.693600    
 H   -4.274400      -3.295900      0.2375000    


%chk=000087176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087176

0 1
S 1.049196 -0.837813 1.067100
S -1.058674 3.161532 -0.001326
S 3.461644 -1.202940 0.591162
S -3.171622 2.377655 1.266919
O 4.404356 -0.620808 1.786267
O 3.646535 -0.642903 -0.942753
O -3.974521 3.517246 2.135884
O -2.719214 0.954836 1.985303
N 1.295776 3.036630 -0.567389
C 1.214738 1.911747 0.458083
C 0.953280 0.541629 -0.193116
C 0.019549 2.340188 1.332287
C 1.990762 4.239549 -0.041766
C 1.695936 2.704118 -1.954237
C 3.642025 -3.080732 0.558352
C -4.347066 1.879049 -0.138765
C 3.279743 -3.760381 -0.615380
C -4.221920 0.591150 -0.684625
C 4.151783 -3.698251 1.711291
C -5.310346 2.811619 -0.556802
C 3.442700 -5.164858 -0.624860
C -5.111957 0.224776 -1.721093
C 4.303032 -5.104513 1.677752
C -6.190355 2.428968 -1.596829
C 3.946767 -5.831291 0.517725
C -6.086455 1.143568 -2.179025
H 2.162181 1.859433 1.034307
H -0.059422 0.493288 -0.635446
H 1.705303 0.287351 -0.966809
H -0.537488 1.505414 1.796502
H 0.281857 3.081898 2.101653
H 1.803225 5.092273 -0.714740
H 3.086801 4.071779 0.034819
H 1.597980 4.496354 0.954117
H 0.997582 1.972420 -2.387727
H 2.728796 2.298290 -2.007182
H 1.644956 3.624385 -2.560107
H 2.906979 -3.217558 -1.489282
H -3.479159 -0.106202 -0.283324
H 4.434124 -3.105202 2.586893
H -5.382855 3.787075 -0.064523
H 3.176094 -5.732790 -1.521928
H -5.047756 -0.775227 -2.163562
H 4.698611 -5.624886 2.555765
H -6.956101 3.130720 -1.944378
H 4.066207 -6.919729 0.501616
H -6.772906 0.853242 -2.982118


