%chk=000076605.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076605

0 1
 O  -7.9300001E-02  -2.941200      2.0999999E-03
 N  -0.8672000     -0.2471000      1.9000000E-03
 N   -1.230600       1.042200      3.3000000E-03
 N   -1.822900      -1.185900     -7.9999998E-04
 C    3.834500       1.126100     -7.9999998E-04
 C    2.762900      2.3300000E-02   0.000000    
 C    4.717100      0.9917000      -1.260600    
 C    4.720400      0.9908000       1.256600    
 C    3.256400       2.559500      6.0000003E-04
 C    1.442500      0.3976000      9.9999997E-05
 C    3.176000      -1.285200      9.9999997E-05
 C   0.4709000     -0.6033000      3.0000001E-04
 C   0.8518000      -1.945100      1.9999999E-04
 C    2.204300      -2.286000      9.9999997E-05
 C   -2.571700      0.9663000      1.4000000E-03
 C   -2.949300     -0.4544000     -1.0000000E-03
 C   -3.529900       1.997000      2.0000001E-03
 C   -4.292900     -0.8733000     -3.0000000E-03
 C   -4.864000       1.549900     -1.9999999E-04
 C   -5.228900      0.1771000     -2.4999999E-03
 H    5.463100       1.793800      -1.306900    
 H    5.267200      4.4799998E-02  -1.286800    
 H    4.112400       1.046800      -2.173700    
 H    5.271000      4.4100001E-02   1.280600    
 H    5.466200       1.793200       1.301800    
 H    4.118000       1.044800       2.171400    
 H    4.064000       3.302600      3.9999999E-04
 H    2.650700       2.760400     -0.8910000    
 H    2.652000       2.759200      0.8933000    
 H    1.138100       1.435400      1.9999999E-04
 H    4.221400      -1.574000     -1.9999999E-04
 H    2.515800      -3.327300      3.0000001E-04
 H   -3.273200       3.048700      3.8999999E-03
 H   -4.592000      -1.913600     -4.6999999E-03
 H   0.3747000      -3.801300      2.2000000E-03
 H   -5.659800       2.293700       0.000000    
 H   -6.289000     -7.3399998E-02 -4.0000002E-03


%chk=000076605-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076605

0 1
O -0.002945 -3.157890 0.001407
N -0.900616 -0.365677 0.000150
N -1.240004 0.983331 0.002879
N -1.947314 -1.267530 -0.002750
C 3.881107 1.181103 -0.001019
C 2.830422 0.046756 -0.000543
C 4.774163 1.055435 -1.272309
C 4.774701 1.056084 1.269945
C 3.228608 2.586595 -0.001215
C 1.443791 0.294791 -0.000383
C 3.248611 -1.312838 -0.000291
C 0.481002 -0.749205 0.000026
C 0.915524 -2.103642 0.000467
C 2.311603 -2.357059 0.000221
C -2.618561 0.942650 0.001725
C -3.053307 -0.438205 -0.001685
C -3.563265 2.008061 0.003419
C -4.436116 -0.775725 -0.003464
C -4.918641 1.658185 0.001640
C -5.350572 0.283694 -0.001760
H 5.540896 1.852704 -1.279308
H 5.297155 0.082897 -1.311846
H 4.166265 1.151238 -2.190432
H 5.297727 0.083577 1.309778
H 5.541430 1.853361 1.276186
H 4.167203 1.152371 2.188283
H 4.017806 3.360559 -0.001408
H 2.601243 2.747313 -0.897102
H 2.601373 2.747602 0.894712
H 1.051927 1.312541 -0.000514
H 4.315098 -1.562234 -0.000463
H 2.657473 -3.399702 0.000514
H -3.236026 3.051770 0.006008
H -4.758849 -1.820771 -0.006043
H 0.485215 -4.021737 0.001951
H -5.678440 2.447536 0.002855
H -6.424987 0.069963 -0.003031


