%chk=000060601.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060601

0 1
 O   0.5380000       2.706000       1.554200    
 N    3.299400     -0.2793000     -0.3844000    
 N  -0.7739000      5.7900000E-02  0.5589000    
 C   0.7164000       2.455300      0.1608000    
 C    1.554300       3.579400     -0.4554000    
 C    1.354200       1.099500      1.9900000E-02
 C    3.020700       3.442100     -5.3500000E-02
 C    3.588100       2.122300     -0.5701000    
 C    2.705500      0.9375000     -0.2786000    
 C   0.6040000     -5.8200002E-02  0.2343000    
 C    1.196400      -1.323100      0.1368000    
 C    2.565800      -1.388100     -0.1787000    
 C   -1.693900      -1.017400      0.3930000    
 C   0.4590000      -2.501200      0.3465000    
 C    3.157400      -2.644400     -0.2765000    
 C    1.074600      -3.745100      0.2432000    
 C   -3.046600     -0.4569000      6.9200002E-02
 C    2.426200      -3.816500     -6.8899997E-02
 C   -3.931900     -0.1549000       1.098600    
 C   -3.404800     -0.2432000      -1.257600    
 C   -5.190200      0.3666000      0.7975000    
 C   -4.663000      0.2784000      -1.558600    
 C   -5.555700      0.5833000     -0.5309000    
 H  -0.2679000       2.484000     -0.3199000    
 H    1.179000       4.553800     -0.1219000    
 H    1.475700       3.547300      -1.549400    
 H    3.118200       3.491900       1.037900    
 H    3.601800       4.276200     -0.4630000    
 H    4.579800       1.959300     -0.1322000    
 H    3.717500       2.183700      -1.657800    
 H   -1.112000      0.9547000      0.8875000    
 H    1.317100       2.382100       2.037400    
 H   -1.831700      -1.571100       1.329600    
 H   -1.499200      -1.651100     -0.4801000    
 H  -0.4948000      -2.657900      0.8011000    
 H    4.215700      -2.726500     -0.5173000    
 H   0.5183000      -4.655000      0.4500000    
 H    2.918300      -4.782000     -0.1410000    
 H   -3.659200     -0.3154000       2.138000    
 H   -2.718500     -0.4716000      -2.068600    
 H   -5.884900      0.6050000       1.597500    
 H   -4.947300      0.4485000      -2.592800    
 H   -6.535100      0.9899000     -0.7653000    


%chk=000060601-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060601

0 1
O 0.019544 2.590612 1.312144
N 3.351096 -0.324833 -0.570499
N -0.719833 -0.087243 0.723278
C 0.584624 2.278446 -0.052487
C 1.410121 3.462040 -0.589310
C 1.325038 0.951412 -0.032592
C 2.884932 3.379947 -0.145905
C 3.515862 2.100341 -0.728648
C 2.698580 0.851727 -0.423229
C 0.601084 -0.234396 0.309010
C 1.296082 -1.509188 0.229438
C 2.660242 -1.488303 -0.268939
C -1.837370 -1.038557 0.577925
C 0.757688 -2.766769 0.663821
C 3.372466 -2.723461 -0.415370
C 1.486978 -3.952675 0.535947
C -3.126584 -0.318586 0.188321
C 2.797364 -3.936204 -0.033020
C -4.273385 -0.393985 1.014670
C -3.198888 0.422476 -1.019957
C -5.474379 0.254965 0.642999
C -4.394981 1.071143 -1.393971
C -5.538080 0.988850 -0.562608
H -0.346602 2.177366 -0.642642
H 0.925686 4.395342 -0.249998
H 1.370957 3.455356 -1.697387
H 2.953170 3.367476 0.961870
H 3.441319 4.272223 -0.487129
H 4.540720 1.933659 -0.352687
H 3.605743 2.202623 -1.829977
H -0.953132 0.850366 1.081312
H 0.769951 2.592442 1.960791
H -2.015877 -1.608878 1.514107
H -1.572373 -1.769807 -0.207694
H -0.224810 -2.809841 1.137782
H 4.389076 -2.663817 -0.816200
H 1.055354 -4.897383 0.884432
H 3.356561 -4.871928 -0.143752
H -4.227181 -0.960081 1.953399
H -2.315180 0.483822 -1.667255
H -6.353975 0.189454 1.293105
H -4.439927 1.636867 -2.331384
H -6.466880 1.492777 -0.852311


