%chk=000064016.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064016

0 1
 O  -3.0900000E-02  -1.952600      0.2125000    
 O   -5.052500      -1.801400     -1.2800000E-02
 N   0.6577000      0.3000000      0.1928000    
 N  -0.9957000       2.005000      5.1199999E-02
 C    2.046700     -6.9100000E-02  0.1858000    
 C   -1.700400     -0.3344000      0.1137000    
 C   0.2435000       1.633600      0.1520000    
 C  -0.2845000     -0.7503000      0.1979000    
 C   -1.993700       1.025900      1.8999999E-02
 C    2.723300     -0.2495000      -1.014900    
 C    2.700300     -0.2406000       1.400900    
 C   -2.724700      -1.288600      0.1031000    
 C    1.257600       2.751100      0.2874000    
 C   -3.331200       1.425000     -8.6499996E-02
 C    4.071600     -0.6064000      -1.000800    
 C    2.038900     -7.0100002E-02  -2.331100    
 C   -4.052800     -0.8778000     -1.8000000E-03
 C    4.048800     -0.5975000       1.415100    
 C   -4.356400      0.4781000     -9.7700000E-02
 C    4.734300     -0.7804000      0.2143000    
 H    2.175100     -0.1000000       2.341800    
 H   -2.495600      -2.348900      0.1736000    
 H    1.991100       2.691900     -0.5210000    
 H    1.777300       2.661800       1.245400    
 H   0.7668000       3.727600      0.2433000    
 H   -3.583200       2.480500     -0.1572000    
 H    4.621300     -0.7530000      -1.926800    
 H    2.718400     -0.2540000      -3.170600    
 H    1.205500     -0.7729000      -2.431000    
 H    1.664900      0.9531000      -2.437200    
 H    4.564800     -0.7327000       2.361100    
 H   -5.389200      0.8055000     -0.1798000    
 H    5.784200      -1.058200      0.2255000    
 H   -4.663000      -2.689500      6.1700001E-02


%chk=000064016-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064016

0 1
O 0.089986 -1.948477 -0.124377
O -5.162983 -1.763911 -0.121882
N 0.643595 0.325924 0.125098
N -1.028768 2.060824 0.219491
C 2.059250 -0.031491 0.160992
C -1.709323 -0.319567 0.022397
C 0.241308 1.683500 0.214305
C -0.299987 -0.749458 -0.003853
C -2.023386 1.070833 0.135455
C 2.749034 -0.313569 -1.048459
C 2.705205 -0.095734 1.413480
C -2.737214 -1.291195 -0.067803
C 1.319006 2.737867 0.295839
C -3.393115 1.463278 0.157373
C 4.125188 -0.640378 -0.953345
C 2.036354 -0.296092 -2.385360
C -4.079511 -0.875937 -0.041103
C 4.075276 -0.426473 1.484931
C -4.409826 0.505527 0.071505
C 4.786941 -0.695542 0.293877
H 2.127958 0.098643 2.324057
H -2.447252 -2.345716 -0.154948
H 2.045257 2.646923 -0.531832
H 1.895222 2.664148 1.235416
H 0.830452 3.721680 0.251924
H -3.622524 2.529240 0.243404
H 4.679920 -0.861774 -1.872722
H 2.752338 -0.393656 -3.218384
H 1.321123 -1.137509 -2.445512
H 1.456871 0.633662 -2.535933
H 4.576854 -0.480396 2.456804
H -5.466008 0.789958 0.088250
H 5.850705 -0.954362 0.335744
H -4.849646 -2.699570 -0.195931


