%chk=000033919.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033919

0 1
 S   -4.574800      0.5379000      0.1661000    
 O   -4.989700      0.9570000      -1.358000    
 O   -5.442600     -0.5623000      0.5568000    
 O   -4.504500       1.750000      0.9661000    
 N   0.6646000      0.7983000      0.1529000    
 N   0.9934000      -1.367400     -0.2232000    
 C  -0.5883000      0.2466000      7.1800001E-02
 C  -0.3561000      -1.105800     -0.1635000    
 C    1.575100     -0.2049000     -2.9500000E-02
 C   -1.865600      0.7974000      0.1807000    
 C   -2.944300     -8.2000002E-02  4.1400000E-02
 C   -1.451700      -1.974900     -0.3011000    
 C    2.996800      3.9500002E-02 -2.9000000E-03
 C   -2.743200      -1.443800     -0.1954000    
 C    3.868400     -0.9605000      0.4284000    
 C    3.499700       1.275600     -0.4087000    
 C    5.242800     -0.7243000      0.4537000    
 C    4.874100       1.511700     -0.3834000    
 C    5.745900      0.5118000      4.7800001E-02
 H   0.8641000       1.773800      0.3314000    
 H   -1.996900       1.859000      0.3571000    
 H   -1.305600      -3.034200     -0.4869000    
 H   -3.585500      -2.121300     -0.3109000    
 H    3.497500      -1.930100      0.7518000    
 H    2.849800       2.071800     -0.7629000    
 H    5.921700      -1.502500      0.7899000    
 H    5.266400       2.473100     -0.7023000    
 H    6.816100      0.6954000      6.6900000E-02
 H   -5.005500      0.2178000      -2.010500    


%chk=000033919-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033919

0 1
S -4.672207 0.477420 0.017213
O -4.927852 0.387104 -1.823913
O -5.671069 -0.589762 0.710910
O -4.696792 2.034583 0.460741
N 0.661532 0.890054 0.004472
N 1.045685 -1.360085 0.050125
C -0.602034 0.292758 0.012196
C -0.336582 -1.125580 0.040223
C 1.624574 -0.135755 0.027395
C -1.904654 0.819233 -0.006396
C -2.919028 -0.151241 0.012457
C -1.406399 -2.051877 0.062018
C 3.073066 0.104308 0.026157
C -2.722302 -1.552772 0.044966
C 3.945455 -1.018803 0.049544
C 3.629286 1.412820 0.002433
C 5.341232 -0.834142 0.049055
C 5.028029 1.592881 0.002221
C 5.889223 0.471194 0.025484
H 0.851279 1.889816 -0.014141
H -2.142726 1.887079 -0.018010
H -1.206429 -3.126034 0.089191
H -3.586229 -2.223075 0.073682
H 3.501593 -2.018752 0.067740
H 2.986141 2.301662 -0.016322
H 6.004264 -1.705661 0.066988
H 5.446153 2.604953 -0.016018
H 6.975276 0.613275 0.025317
H -5.886384 0.617099 -2.002129


