%chk=000075482.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075482

0 1
 S    4.803900      0.4921000     -0.3121000    
 O  -0.8365000     -0.6743000       1.165600    
 O   -1.440400     -0.3339000      -1.053700    
 O   -5.870900      0.5842000      -1.124200    
 N   -3.032400     -0.8938000      0.5382000    
 C    2.256500       1.174800      0.5354000    
 C    2.621800      -1.169500      7.8900002E-02
 C    3.100700      0.1395000      0.1338000    
 C   0.4545000     -0.4076000      0.8273000    
 C   0.9334000      0.9012000      0.8822000    
 C    1.298600      -1.443000      0.4257000    
 C    2.715800       2.596500      0.6135000    
 C    3.481500      -2.318400     -0.3438000    
 C   -4.189200     -0.9054000     -0.3268000    
 C   -1.755300     -0.6098000      0.1001000    
 C    4.647200      0.8137000      -2.088900    
 C   -4.871100      0.4443000     -0.4154000    
 C   -4.318000       1.609400      0.3642000    
 H   0.2647000       1.699000       1.197000    
 H   0.9125000      -2.458900      0.3875000    
 H    3.561800       2.695700       1.301600    
 H    2.997700       2.970000     -0.3760000    
 H    1.927000       3.258100      0.9893000    
 H    3.803100      -2.202700      -1.383600    
 H    4.357400      -2.410100      0.3067000    
 H    2.944400      -3.271800     -0.2822000    
 H   -3.885200      -1.208600      -1.333200    
 H   -4.898200      -1.629100      8.5000001E-02
 H   -3.166700      -1.093400       1.524800    
 H    3.983300       1.663200      -2.268700    
 H    4.253100     -6.5300003E-02  -2.605300    
 H    5.632600       1.047700      -2.500200    
 H   -4.972400       2.476500      0.2331000    
 H   -4.284400       1.366400       1.429100    
 H   -3.323800       1.870100     -5.5000000E-03


%chk=000075482-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000075482

0 1
S 5.028694 0.043665 -0.166638
O -0.931935 0.324759 1.004363
O -1.880578 -1.478309 -0.248276
O -6.569817 -0.112214 -0.114163
N -3.149732 -0.047272 1.104661
C 2.661223 1.164685 0.927156
C 2.365513 -0.923004 -0.382033
C 3.200392 0.106446 0.137318
C 0.442477 0.165910 0.650884
C 1.269569 1.180007 1.173728
C 0.971047 -0.888162 -0.121652
C 3.533974 2.262469 1.508204
C 2.923632 -2.067298 -1.209974
C -4.431092 -0.709631 0.863927
C -1.979220 -0.504845 0.538495
C 5.105644 0.977964 -1.813838
C -5.318161 -0.062185 -0.226750
C -4.614665 0.559563 -1.419780
H 0.818855 1.975424 1.775043
H 0.317852 -1.667006 -0.516558
H 4.300273 1.846138 2.185776
H 4.083127 2.805253 0.717299
H 2.926388 2.991776 2.070663
H 3.367723 -1.705448 -2.156120
H 3.729797 -2.594524 -0.670505
H 2.131305 -2.792005 -1.461717
H -4.216342 -1.744043 0.529794
H -5.019572 -0.770951 1.795716
H -3.093589 0.758321 1.728449
H 4.713457 1.998794 -1.687597
H 4.529556 0.440352 -2.582532
H 6.168983 1.015686 -2.098942
H -5.350368 0.824427 -2.194162
H -4.066859 1.470711 -1.112572
H -3.860551 -0.138653 -1.828269


