%chk=000066705.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066705

0 1
 S    1.707700       2.012100     -4.3000001E-03
 O   -3.928800      -1.807200      3.8999999E-03
 N    1.116600      -1.056700     -3.4000000E-03
 C  -2.0999999E-03 -0.2090000     -1.9000000E-03
 C   0.1238000       1.189100     -1.4000000E-03
 C    2.470200     -0.6852000     -2.0000001E-03
 C   -2.427400      2.8800000E-02  3.5000001E-03
 C   -1.288300     -0.7755000      3.0000001E-04
 C    2.872500      0.6597000     -1.9000000E-03
 C   -1.028100       1.991200      1.8000000E-03
 C   -2.297000       1.412700      4.4000000E-03
 C   -3.749300     -0.5775000      3.8999999E-03
 C    3.454000      -1.688800     -5.0000002E-04
 C   -4.979200      0.3416000      5.2999998E-03
 C    4.239900      0.9766000      3.9999999E-04
 C    4.810500      -1.365000      1.6000000E-03
 C    5.203200     -3.1599998E-02  2.7000001E-03
 C   -6.298000     -0.4153000     -1.2400000E-02
 H   0.9253000      -2.052200     -4.0000002E-03
 H   -1.386000      -1.860000     -3.9999999E-04
 H  -0.9512000       3.076600      2.6000000E-03
 H   -3.147700       2.086100      7.6000001E-03
 H    3.165500      -2.737900     -7.9999998E-04
 H   -4.952300      0.9629000      0.9072000    
 H   -4.942000      0.9804000     -0.8839000    
 H    4.572400       2.012600      6.9999998E-04
 H    5.557400      -2.153300      2.9000000E-03
 H    6.258400      0.2252000      4.6000001E-03
 H   -6.391600      -1.062000      0.8663000    
 H   -7.139200      0.2847000     -1.2900000E-02
 H   -6.377100      -1.046100     -0.9039000    


%chk=000066705-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066705

0 1
S 1.771769 2.096863 -0.000612
O -3.875652 -1.832004 -0.006121
N 1.117289 -1.030050 -0.006617
C 0.007825 -0.164089 -0.003948
C 0.146824 1.255090 -0.000324
C 2.482835 -0.683966 -0.002256
C -2.450842 0.107057 -0.002629
C -1.293463 -0.712450 -0.004940
C 2.931227 0.664140 0.001551
C -0.999646 2.076211 0.002427
C -2.294008 1.516799 0.001197
C -3.792902 -0.566451 -0.004191
C 3.455355 -1.718602 -0.001586
C -5.054139 0.304684 -0.001413
C 4.308015 0.959790 0.006097
C 4.834078 -1.421543 0.002607
C 5.268961 -0.078497 0.006545
C -6.356277 -0.513427 -0.001950
H 0.904947 -2.028091 -0.009628
H -1.443326 -1.799320 -0.007621
H -0.876406 3.164804 0.005366
H -3.162500 2.181149 0.003174
H 3.119594 -2.763265 -0.004400
H -5.016514 0.973185 0.883262
H -5.017870 0.976544 -0.883599
H 4.634608 2.005826 0.009115
H 5.562308 -2.239183 0.002876
H 6.335702 0.164790 0.009906
H -6.409737 -1.169259 0.883590
H -7.234788 0.156079 0.000056
H -6.411169 -1.165815 -0.889935


