%chk=000015937.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015937

0 1
 S  -0.4587000       1.789800      0.4370000    
 O   -3.807000     -0.9650000      0.6956000    
 O  -0.9052000       1.330700       1.738500    
 O  -0.4341000       3.207600      0.1324000    
 O    5.139200      -2.184700      0.9200000    
 N   -6.357200     -0.5880000     -0.5076000    
 N   -1.331800      0.9806000     -0.7766000    
 N    5.035200     -0.2630000     -0.4420000    
 C   -3.906100     -0.4912000     -0.6528000    
 C   -2.680500     -0.9835000      -1.410000    
 C   -5.195600      -1.013600      -1.291900    
 C   -1.373900     -0.4977000     -0.7950000    
 C   -6.223300      -1.039000      0.8783000    
 C   -4.919800     -0.5251000       1.476300    
 C    1.179100       1.178100      0.1756000    
 C    1.587100      3.4200002E-02  0.8393000    
 C    2.022500       1.854500     -0.6883000    
 C    3.743200      0.2203000     -0.2346000    
 C    2.879400     -0.4485000      0.6325000    
 C    3.314800       1.371800     -0.8952000    
 C    5.637800      -1.393500      0.1261000    
 C    7.054700      -1.574600     -0.3575000    
 H   -3.921100      0.6066000     -0.6409000    
 H   -2.661400      -2.080600      -1.415600    
 H   -2.738500     -0.6530000      -2.454400    
 H   -5.182300      -2.109300      -1.349000    
 H   -5.292500     -0.6295000      -2.313100    
 H  -0.5350000     -0.8622000      -1.397500    
 H   -1.265700     -0.9000000      0.2168000    
 H   -6.245200      -2.135100      0.9083000    
 H   -7.071300     -0.6720000       1.465300    
 H   -4.908100      0.5696000       1.544100    
 H   -4.792100     -0.9205000       2.489000    
 H   -7.204500     -0.9840000     -0.9134000    
 H   -1.441700       1.440500      -1.689000    
 H   0.9282000     -0.5013000       1.515900    
 H    1.705500       2.747400      -1.218000    
 H    3.138600      -1.345100       1.178100    
 H    3.976700       1.901900      -1.575300    
 H    5.603600      0.2804000      -1.088400    
 H    7.058600      -1.727600      -1.440400    
 H    7.503100      -2.446700      0.1265000    
 H    7.647300     -0.6890000     -0.1111000    


%chk=000015937-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015937

0 1
S -0.383395 1.935033 0.103906
O -3.995011 -1.273341 0.680748
O -0.911566 1.583550 1.596912
O -0.334853 3.437730 -0.519290
O 5.338966 -2.092934 1.079822
N -6.564898 -0.516637 -0.301232
N -1.496131 1.012573 -1.036944
N 5.288056 -0.266056 -0.395867
C -4.124883 -0.530674 -0.598298
C -2.917722 -0.959046 -1.438134
C -5.481765 -0.863242 -1.248919
C -1.589131 -0.452937 -0.830588
C -6.446743 -1.233707 0.988273
C -5.078620 -0.898899 1.607759
C 1.367517 1.226039 -0.038171
C 1.727428 0.135676 0.770655
C 2.258505 1.837952 -0.936900
C 3.955243 0.199706 -0.241185
C 3.032189 -0.389884 0.668289
C 3.561214 1.316524 -1.033029
C 5.917484 -1.346286 0.239837
C 7.374696 -1.557121 -0.161622
H -4.082401 0.558151 -0.386201
H -2.883189 -2.065247 -1.473345
H -3.030811 -0.593177 -2.477797
H -5.478237 -1.946415 -1.533611
H -5.604628 -0.262163 -2.169473
H -0.726835 -1.002925 -1.264661
H -1.622687 -0.641075 0.257712
H -6.520798 -2.344160 0.877291
H -7.253559 -0.898418 1.666509
H -5.021746 0.186918 1.829031
H -4.895524 -1.480075 2.526814
H -7.500417 -0.585961 -0.718216
H -1.266443 1.322040 -1.996770
H 1.012517 -0.278988 1.488996
H 1.945944 2.714223 -1.514068
H 3.349150 -1.236481 1.279085
H 4.278955 1.782351 -1.719838
H 5.862331 0.260949 -1.057522
H 7.744008 -0.840144 -0.915227
H 7.492270 -2.580836 -0.556181
H 8.007520 -1.481888 0.739450


