%chk=000131295.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131295

0 1
 S   0.1136000      -3.367600      0.6603000    
 N    2.080500       1.034200     -0.4199000    
 C    2.438100     -5.7500001E-02  0.5239000    
 C  -0.3423000      0.4891000     -0.5549000    
 C   0.7233000       1.536700     -0.1390000    
 C   3.1599998E-02 -0.8858000     -3.3199999E-02
 C    1.365400      -1.129700      0.4806000    
 C    3.830800     -0.6094000      0.1601000    
 C    3.054100       2.134300     -0.3450000    
 C    4.889100      0.4893000      0.1591000    
 C    4.453900       1.652800     -0.7199000    
 C   -1.773700      0.8008000     -0.1143000    
 C  -0.7081000      -2.059900     -8.5600004E-02
 C   -2.071300      -2.329000     -0.6602000    
 C    1.497700      -2.421800      0.9469000    
 C   -2.862700      3.7700001E-02 -0.6032000    
 C   -2.637000      -1.172000      -1.478400    
 C   -2.072800       1.882300      0.7367000    
 C   -4.181100      0.3563000     -0.2295000    
 C   -3.387300       2.190500       1.099100    
 C   -4.441600       1.428700      0.6163000    
 H    2.470300      0.3338000       1.551400    
 H  -0.3277000      0.4515000      -1.653500    
 H   0.5292000       2.457700     -0.7045000    
 H   0.6579000       1.790500      0.9269000    
 H    3.801400      -1.087600     -0.8285000    
 H    4.137100      -1.384200      0.8728000    
 H    3.068100       2.577500      0.6593000    
 H    2.772800       2.928400      -1.047300    
 H    5.845900      8.8799998E-02 -0.1938000    
 H    5.047500      0.8441000       1.184900    
 H    5.168500       2.477800     -0.6224000    
 H    4.466700       1.341500      -1.772200    
 H   -2.016700      -3.210300      -1.312500    
 H   -2.760400      -2.577000      0.1583000    
 H    2.359100      -2.868400       1.423000    
 H   -3.585600      -1.488500      -1.930400    
 H   -1.984400     -0.9158000      -2.321300    
 H   -1.295000       2.524500       1.137400    
 H   -5.014900     -0.2398000     -0.5928000    
 H   -3.582800       3.031800       1.758200    
 H   -5.462600       1.666300      0.8987000    


%chk=000131295-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131295

0 1
S 0.211286 -3.552912 0.618852
N 2.056695 1.033659 -0.324674
C 2.492707 -0.119781 0.516254
C -0.356152 0.424494 -0.470641
C 0.684643 1.450046 0.038137
C 0.072193 -0.978910 -0.014406
C 1.431142 -1.212158 0.465224
C 3.885185 -0.615552 0.054804
C 3.019718 2.161546 -0.240457
C 4.923622 0.526416 0.090517
C 4.416405 1.734340 -0.728000
C -1.800667 0.813029 -0.111788
C -0.710404 -2.127681 -0.028725
C -2.116408 -2.370629 -0.524720
C 1.656467 -2.520994 0.848593
C -2.892927 0.048980 -0.624282
C -2.648894 -1.219595 -1.422341
C -2.092252 1.955818 0.676177
C -4.221757 0.446551 -0.339809
C -3.421854 2.341380 0.960030
C -4.496865 1.585708 0.447891
H 2.594485 0.227454 1.583301
H -0.274593 0.445182 -1.579303
H 0.483979 2.430691 -0.431065
H 0.586906 1.579571 1.146740
H 3.788697 -1.012558 -0.973203
H 4.213118 -1.448123 0.704841
H 3.100744 2.545176 0.812206
H 2.634179 2.989156 -0.864481
H 5.896451 0.172064 -0.298919
H 5.091335 0.840764 1.141893
H 5.115647 2.587955 -0.642107
H 4.350634 1.456955 -1.797468
H -2.136572 -3.314184 -1.105075
H -2.812022 -2.509559 0.327732
H 2.562904 -2.975935 1.242391
H -3.593944 -1.549570 -1.890885
H -1.924202 -1.048261 -2.242230
H -1.280320 2.564829 1.083184
H -5.050256 -0.148664 -0.743432
H -3.612290 3.228480 1.574530
H -5.532162 1.877423 0.656320


