%chk=000078795.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078795

0 1
 S  -0.4192000     -0.4771000      -2.615300    
 S    1.419100      -1.380500      -2.319300    
 N  -0.9304000       1.413500     -0.7076000    
 N    1.266600      -1.705400      0.3899000    
 N  -0.4834000       2.608400     -0.2830000    
 N   0.9049000      -2.607200       1.313200    
 N   0.7300000       1.918200      -2.021200    
 N   0.5997000      -3.436200     -0.7338000    
 N   0.5285000       2.909500      -1.087600    
 N   0.4976000      -3.663500      0.6200000    
 C   -1.995800      0.7861000     -8.8299997E-02
 C    1.752100     -0.4565000      0.7632000    
 C   -2.833800     -5.2600000E-02 -0.8230000    
 C    2.665600      0.2000000     -5.4400001E-02
 C   -2.232400      0.9919000       1.270700    
 C    1.319900      0.1245000       1.950600    
 C  -0.1792000       1.004600      -1.769700    
 C    1.068200      -2.240800     -0.8149000    
 C   -3.908400     -0.6859000     -0.1985000    
 C    3.152600       1.452500      0.3196000    
 C   -3.307100      0.3586000       1.895200    
 C    1.806800       1.377000       2.324500    
 C   -4.145000     -0.4803000       1.160600    
 C    2.723100       2.041100       1.509000    
 H   -2.802000     -0.1538000      -1.899800    
 H    3.150700     -0.2459000     -0.9121000    
 H   -1.594300       1.634600       1.871900    
 H   0.5992000     -0.3641000       2.601200    
 H   -4.579900      -1.314800     -0.7760000    
 H    3.888700       1.957300     -0.2994000    
 H   -3.491400      0.5185000       2.953600    
 H    1.470700       1.836400       3.249400    
 H   -4.985700     -0.9679000       1.645300    
 H    3.106200       3.013900       1.802800    


%chk=000078795-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078795

0 1
S -0.595450 -0.991162 -2.273074
S 1.611627 -1.685605 -2.608088
N -1.099084 1.510638 -1.060793
N 2.098409 -2.133864 0.199217
N -0.582099 2.833917 -1.055717
N 2.326792 -3.247675 1.034139
N 0.614141 1.550818 -2.500223
N 2.005989 -3.966419 -1.090023
N 0.454339 2.819458 -1.912297
N 2.283445 -4.336192 0.230283
C -2.215858 1.154188 -0.237196
C 2.062646 -0.819921 0.790082
C -3.192165 0.252028 -0.722236
C 2.427572 0.324429 0.043260
C -2.325896 1.725844 1.052094
C 1.680470 -0.713315 2.149996
C -0.347438 0.760203 -1.948543
C 1.895584 -2.602325 -1.095432
C -4.272177 -0.108871 0.111769
C 2.386529 1.590990 0.665687
C -3.418995 1.369318 1.867353
C 1.657146 0.557000 2.759992
C -4.389069 0.447610 1.405506
C 2.005062 1.712666 2.021531
H -3.138557 -0.134365 -1.746730
H 2.737309 0.244120 -1.002088
H -1.562380 2.428562 1.397336
H 1.418129 -1.614660 2.710032
H -5.028108 -0.809120 -0.257557
H 2.656750 2.478299 0.085112
H -3.509642 1.805873 2.867292
H 1.366636 0.641427 3.812357
H -5.232610 0.171531 2.046477
H 1.983154 2.698676 2.497284


