%chk=000064312.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064312

0 1
 S   -3.603900      5.3100001E-02  -1.057700    
 S   -5.306000      0.1250000      0.1610000    
 O   -6.519100      0.4807000     -0.8681000    
 O   -5.531400      -1.213700      0.6711000    
 O   -5.144800       1.247200       1.065400    
 N   9.6900001E-02 -0.7605000      0.3872000    
 C    1.788500      0.5113000     -0.9513000    
 C    2.525500      -1.229700      0.7182000    
 C    4.227300     -0.1282000     -0.7895000    
 C    3.148400       1.193700       1.065100    
 C    1.404100     -0.8236000     -0.2685000    
 C    3.095800      0.2990000      -1.741100    
 C    2.024700       1.613900      0.1017000    
 C    3.829400      -1.434100     -7.9300001E-02
 C    2.758700     -0.1203000       1.764600    
 C    4.442600      0.9724000      0.2632000    
 C  -0.9456000     -0.4419000     -0.5751000    
 C   -2.291100     -0.3441000      0.1330000    
 H    1.047000      0.8485000      -1.679600    
 H    2.264900      -2.166100       1.226300    
 H    5.151100     -0.2823000      -1.358000    
 H    3.307500       1.978400       1.813100    
 H    1.346300      -1.606600      -1.038500    
 H    3.374800       1.224600      -2.259900    
 H    2.947900     -0.4651000      -2.514200    
 H    1.103400       1.813000      0.6617000    
 H    2.296100       2.552300     -0.3978000    
 H    3.697100      -2.236000     -0.8162000    
 H    4.633900      -1.753200      0.5948000    
 H    3.553800     -0.4237000       2.457000    
 H    1.857100      3.0400001E-02   2.370000    
 H    5.258800      0.6899000      0.9393000    
 H    4.744200       1.906300     -0.2269000    
 H  -0.1055000      -1.653000      0.8369000    
 H  -0.9862000      -1.209200      -1.358300    
 H  -0.7792000      0.5290000      -1.048100    
 H   -2.267100      0.4366000      0.9012000    
 H   -2.540000      -1.292800      0.6208000    
 H   -6.412500       1.321800      -1.371400    


%chk=000064312-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064312

0 1
S -4.001226 -1.346241 -0.091812
S -3.754806 1.138422 -0.050502
O -2.769416 1.278643 -1.653957
O -5.132341 1.963595 -0.227663
O -2.745639 1.545558 1.156750
N 0.108585 -1.513238 0.329121
C 1.224223 0.406097 -0.897034
C 2.573869 -1.252804 0.473658
C 3.763823 0.521272 -0.894169
C 2.454872 1.183967 1.180303
C 1.308476 -1.079572 -0.417161
C 2.484691 0.704614 -1.755599
C 1.174085 1.365600 0.319906
C 3.831865 -0.943550 -0.382635
C 2.519374 -0.282824 1.687022
C 3.711748 1.490226 0.318618
C -1.186420 -1.586462 -0.354962
C -2.314874 -1.580235 0.693493
H 0.319105 0.547313 -1.519547
H 2.621440 -2.303915 0.831888
H 4.659535 0.739549 -1.508687
H 2.419977 1.871913 2.047602
H 1.437791 -1.714493 -1.331393
H 2.431136 1.743303 -2.137642
H 2.518986 0.034493 -2.638896
H 0.271000 1.161502 0.924456
H 1.101798 2.411760 -0.038748
H 3.898099 -1.644912 -1.238973
H 4.742481 -1.089709 0.231600
H 3.418962 -0.433177 2.316891
H 1.633894 -0.500139 2.314303
H 4.629752 1.380191 0.930922
H 3.680419 2.539834 -0.036820
H 0.289849 -2.285082 0.983251
H -1.295993 -2.480968 -1.014565
H -1.294146 -0.698320 -0.999595
H -2.160442 -0.767216 1.431906
H -2.380551 -2.536567 1.246574
H -2.700581 2.254572 -1.875806


