%chk=000064966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064966

1 1
 S    1.553800      -2.831600      0.6146000    
 N   0.1802000     -0.5844000     -1.1900000E-02
 N  -3.5200000E-02  0.8245000      5.6499999E-02
 N   -1.051700      -1.187600     -4.8400000E-02
 N   -1.340300       1.148900      6.5200001E-02
 N    2.464300     -0.7194000     -0.5652000    
 C    1.375700      -1.248500     -3.8300000E-02
 C   0.9359000       1.822700      0.1060000    
 C   -1.902300     -7.9099998E-02  1.8000000E-03
 C   -3.327100     -0.2580000     -1.4600000E-02
 C    3.207800      -2.815500      0.1613000    
 C    3.508400      -1.616100     -0.4494000    
 C   0.6666000       3.070200     -0.4435000    
 C    2.162000       1.559200      0.7042000    
 C   -3.868800      -1.541700     -8.0600001E-02
 C   -4.169400      0.8526000      3.5700001E-02
 C    4.069100      -3.980900      0.4443000    
 C    4.828400      -1.218200     -0.9803000    
 C    1.638300       4.069700     -0.3938000    
 C    3.133800       2.558700      0.7539000    
 C    2.871900       3.814000      0.2050000    
 C   -5.252700      -1.714700     -9.6299998E-02
 C   -5.553500      0.6795000      1.9900000E-02
 C   -6.095200     -0.6042000     -4.6000000E-02
 H  -0.2809000       3.296300     -0.9256000    
 H    2.360900      0.6629000       1.281400    
 H   -3.240400      -2.427900     -0.1209000    
 H   -3.785300       1.868200      8.7600000E-02
 H    3.682300      -4.880400     -4.6500001E-02
 H    5.091500      -3.825400      8.5900001E-02
 H    4.123800      -4.172400       1.521300    
 H    5.580400      -1.216700     -0.1849000    
 H    5.153000      -1.907700      -1.766000    
 H    4.794000     -0.2119000      -1.410200    
 H    1.435000       5.047000     -0.8218000    
 H    4.081300       2.371200       1.250700    
 H    3.625700       4.594500      0.2506000    
 H   -5.675000      -2.714100     -0.1477000    
 H   -6.209900       1.543900      5.9099998E-02
 H   -7.172700     -0.7390000     -5.8200002E-02


%chk=000064966-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064966

1 1
S 1.325774 -3.016031 -0.389593
N 0.228537 -0.507986 0.133985
N 0.038076 0.903455 0.112790
N -0.982804 -1.124116 0.161139
N -1.294029 1.153609 0.109651
N 2.637311 -0.755057 0.182424
C 1.422443 -1.247044 0.023219
C 1.021308 1.957088 0.027666
C -1.906337 -0.092052 0.127021
C -3.350348 -0.286956 0.134244
C 3.135221 -3.005079 -0.334777
C 3.622539 -1.722029 -0.021579
C 0.839579 2.915929 -0.999004
C 2.051124 2.067063 0.989616
C -3.889266 -1.603304 0.145545
C -4.215486 0.842430 0.130182
C 3.911061 -4.260585 -0.588853
C 5.075827 -1.347427 0.110977
C 1.735863 4.000194 -1.072805
C 2.931114 3.164052 0.902469
C 2.780404 4.125174 -0.125760
C -5.285486 -1.783401 0.150748
C -5.610198 0.650182 0.135259
C -6.147608 -0.659771 0.145239
H 0.016595 2.812640 -1.712296
H 2.159303 1.327519 1.785726
H -3.218578 -2.468611 0.151326
H -3.794869 1.853162 0.126756
H 3.683715 -4.691774 -1.580907
H 4.992281 -4.052295 -0.550112
H 3.690566 -5.038423 0.165539
H 5.555695 -1.872383 0.956363
H 5.644886 -1.596957 -0.801771
H 5.162508 -0.264174 0.284433
H 1.616340 4.746011 -1.864157
H 3.726506 3.274627 1.645357
H 3.469493 4.973538 -0.183822
H -5.703731 -2.794570 0.159601
H -6.278824 1.516442 0.133174
H -7.232804 -0.804490 0.149884


