%chk=000101304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101304

0 1
 S   -2.161800      0.1300000       1.171800    
 O   -2.318700      -1.104200       1.919100    
 O   -2.559300       1.387100       1.778500    
 O    4.335000      -1.627300     -0.2685000    
 N   -2.922000     -3.0700000E-02 -0.3678000    
 N    3.574500      0.6044000     -0.2598000    
 C   -2.750900       1.074900      -1.344200    
 C   -2.882700      -1.362500      -1.023900    
 C  -0.4489000      0.2715000      0.7443000    
 C   -3.930700       1.167600      -2.289700    
 C   -4.057200      -2.222300     -0.6049000    
 C   0.3179000     -0.8751000      0.6498000    
 C   8.5299999E-02   1.525700      0.5140000    
 C    2.225100      0.4929000      7.6600000E-02
 C    1.666900     -0.7634000      0.3129000    
 C    1.434200       1.637400      0.1772000    
 C    4.517300     -0.4220000     -0.4062000    
 C    5.876000      0.1159000     -0.7792000    
 H   -2.679100       2.027300     -0.8084000    
 H   -1.823100      0.9386000      -1.910800    
 H   -2.864000      -1.284400      -2.114900    
 H   -1.951800      -1.877200     -0.7668000    
 H   -4.006200      0.3074000      -2.960200    
 H   -4.871700       1.240500      -1.734000    
 H   -3.838600       2.060400      -2.916800    
 H   -4.071300      -2.397100      0.4744000    
 H   -5.004000      -1.743000     -0.8754000    
 H   -4.013600      -3.195600      -1.103600    
 H  -9.7599998E-02  -1.861500      0.8304000    
 H  -0.5138000       2.428100      0.5837000    
 H    2.214700      -1.693400      0.2546000    
 H    1.855700       2.622700     -5.1000002E-03
 H    3.906000       1.554000     -0.4162000    
 H    5.817700      0.6308000      -1.742300    
 H    6.591600     -0.7071000     -0.8585000    
 H    6.222500      0.8139000     -1.1700000E-02


%chk=000101304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101304

0 1
S -2.270073 0.283939 1.100846
O -2.526215 -1.027084 2.024980
O -2.640918 1.789060 1.606680
O 4.383218 -1.792890 -0.078956
N -3.275167 0.036206 -0.519979
N 3.686705 0.445045 -0.232204
C -3.265275 1.307334 -1.309320
C -2.808937 -1.173867 -1.271279
C -0.424870 0.298950 0.674791
C -4.563443 1.404323 -2.135958
C -3.372361 -2.485604 -0.700041
C 0.300081 -0.903779 0.722539
C 0.170010 1.532705 0.355465
C 2.304970 0.344444 0.079706
C 1.677646 -0.887441 0.419864
C 1.544332 1.548811 0.057956
C 4.646026 -0.576105 -0.298258
C 6.051966 -0.103178 -0.656751
H -3.237176 2.141830 -0.585446
H -2.372230 1.382234 -1.971277
H -3.183536 -1.031378 -2.303475
H -1.697781 -1.213000 -1.351841
H -4.649004 0.583733 -2.870895
H -5.439691 1.361966 -1.468004
H -4.582657 2.361206 -2.689717
H -3.030159 -2.653282 0.334014
H -4.475054 -2.448833 -0.686791
H -3.053059 -3.337883 -1.328633
H -0.194245 -1.833285 1.023992
H -0.419556 2.454659 0.379091
H 2.272950 -1.801365 0.447793
H 2.032226 2.501549 -0.182954
H 4.022947 1.389281 -0.433998
H 6.400708 -0.660263 -1.542860
H 6.735632 -0.352231 0.173265
H 6.125389 0.978495 -0.863947


