%chk=000072015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072015

0 1
 S   -1.379100      7.3000002E-03   1.649900    
 O    2.945300      -1.323500      -1.640100    
 O    4.981800       2.484500      3.9500002E-02
 O    1.462000      -3.319200      0.6005000    
 O  -0.6446000      -2.639100      2.6200000E-02
 N    2.293000     -0.7526000      0.5552000    
 N   -4.010000      0.6297000     -0.3652000    
 N   -6.239100      0.7743000      0.3369000    
 C    2.557300      0.6253000       1.024600    
 C    3.264300      0.8537000     -0.3390000    
 C    1.172100       1.178400       1.377900    
 C    2.878900     -0.6058000     -0.6675000    
 C   0.2902000     -3.8899999E-02   1.258700    
 C   0.9833000      -1.075300      0.7710000    
 C    4.749900       1.123000     -0.3223000    
 C   -1.937900       1.338100      0.5288000    
 C   -1.748400      0.9462000     -0.9344000    
 C   -3.452100       1.544400      0.6257000    
 C   -2.984800      0.1086000      -1.259200    
 C    5.374400      0.8582000      -1.687500    
 C   0.4861000      -2.401900      0.4211000    
 C   -5.317100      0.3170000     -0.4521000    
 C   -5.725500     -0.6322000      -1.548600    
 H    3.234400      0.6173000       1.889200    
 H    2.727000       1.559900     -0.9878000    
 H   0.8812000       1.970400      0.6814000    
 H    1.163200       1.574100       2.399000    
 H    5.259900      0.4958000      0.4183000    
 H   -1.411300       2.261700      0.7859000    
 H  -0.8173000      0.4295000      -1.180500    
 H   -1.772300       1.858400      -1.545900    
 H   -3.845900       1.364100       1.632200    
 H   -3.708500       2.571200      0.3385000    
 H   -3.247600      0.2240000      -2.315600    
 H   -2.802000     -0.9508000      -1.049800    
 H    6.426700       1.162700      -1.689500    
 H    5.323000     -0.1980000      -1.965100    
 H    4.874200       1.444900      -2.466200    
 H    4.617000       2.615500      0.9314000    
 H    1.161800      -4.225300      0.3738000    
 H   -6.783600     -0.8990000      -1.471400    
 H   -5.565100     -0.1616000      -2.522900    
 H   -5.142300      -1.555600      -1.488200    
 H   -7.161700      0.4058000      8.6900003E-02


%chk=000072015-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072015

0 1
S -1.429451 0.221231 1.434366
O 3.405948 -1.275877 -1.816690
O 5.363293 2.376099 0.597509
O 1.359396 -3.323277 0.111420
O -0.811179 -2.568129 -0.254628
N 2.344125 -0.739146 0.328478
N -4.270416 0.599959 -0.381625
N -6.299805 0.949187 0.697121
C 2.650494 0.642196 0.874015
C 3.652778 0.846074 -0.321357
C 1.257518 1.321705 0.956956
C 3.192333 -0.563788 -0.822725
C 0.286406 0.124610 0.874151
C 0.942742 -1.012380 0.445292
C 5.144972 1.031869 0.018077
C -2.136377 1.491333 0.159623
C -2.096182 0.898157 -1.265270
C -3.641780 1.639010 0.462052
C -3.302796 -0.068876 -1.283170
C 6.032098 0.954909 -1.226206
C 0.374258 -2.331875 0.080017
C -5.601336 0.260789 -0.194154
C -6.123059 -0.878072 -1.069041
H 3.136965 0.581006 1.864484
H 3.339365 1.639532 -1.023733
H 1.068956 2.023034 0.118046
H 1.117839 1.885208 1.894191
H 5.445907 0.249752 0.750142
H -1.573822 2.429951 0.282755
H -1.148598 0.386283 -1.500962
H -2.247580 1.718390 -1.993922
H -3.914378 1.491751 1.523112
H -4.006421 2.649039 0.185168
H -3.713809 -0.194341 -2.301086
H -2.996369 -1.062044 -0.898342
H 7.092972 1.053388 -0.942030
H 5.883499 -0.004334 -1.751405
H 5.782977 1.777936 -1.919091
H 4.944596 2.421905 1.495041
H 0.966223 -4.181495 -0.204972
H -7.145933 -1.149964 -0.762199
H -6.151549 -0.580376 -2.134347
H -5.485853 -1.777715 -0.988775
H -7.278168 0.612583 0.757515


