%chk=000071772.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071772

0 1
 O    1.056100      -2.388000      0.1586000    
 O    2.727600       2.782500     -0.1067000    
 N   -1.247100       1.234400      0.1526000    
 C  -0.8613000     -8.4500000E-02  0.1704000    
 C   -1.857800      -1.189000      0.2587000    
 C   0.5192000     -9.8899998E-02  0.1013000    
 C   -2.620700       1.708100      0.2296000    
 C   0.9616000       1.243600      3.4499999E-02
 C   -3.285800     -0.7453000      5.8400001E-02
 C   -3.638300      0.6156000      4.2199999E-02
 C  -0.1496000       2.053400      6.8700001E-02
 C    1.426500      -1.223500      9.4800003E-02
 C    2.351200       1.619900     -4.9699999E-02
 C    2.876100     -0.8663000      5.2000000E-03
 C    3.312800      0.4759000     -6.3100003E-02
 C   -4.285200      -1.719700     -8.9699998E-02
 C   -4.985700      0.9736000     -0.1218000    
 C   -5.618800      -1.349800     -0.2591000    
 C   -5.969000     -3.1999999E-03 -0.2754000    
 C    3.817600      -1.902500     -1.0500000E-02
 C    4.681800      0.7573000     -0.1455000    
 C    5.179300      -1.608800     -9.3099996E-02
 C    5.609500     -0.2847000     -0.1603000    
 H   -1.773800      -1.664800       1.243500    
 H   -1.616300      -1.940200     -0.5037000    
 H   -2.736000       2.467600     -0.5524000    
 H   -2.740100       2.168600       1.216700    
 H  -0.2545000       3.130000      4.3699998E-02
 H   -4.026200      -2.775700     -7.2400004E-02
 H   -5.275500       2.021800     -0.1289000    
 H   -6.383400      -2.112300     -0.3747000    
 H   -7.007600      0.2872000     -0.4036000    
 H    3.512300      -2.944300      4.0600002E-02
 H    5.046100       1.779700     -0.1991000    
 H    5.907000      -2.415300     -0.1051000    
 H    6.671100     -6.3199997E-02 -0.2245000    


%chk=000071772-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071772

0 1
O 1.039367 -2.437975 0.349422
O 2.772461 2.842422 -0.258302
N -1.279658 1.274060 0.334893
C -0.883471 -0.063960 0.401401
C -1.889416 -1.156934 0.604787
C 0.514577 -0.085711 0.243962
C -2.679339 1.714594 0.498775
C 0.960298 1.283282 0.082335
C -3.292483 -0.748884 0.167904
C -3.664908 0.619840 0.105564
C -0.173110 2.102807 0.144523
C 1.425564 -1.226329 0.213548
C 2.367291 1.641852 -0.117412
C 2.877589 -0.878504 0.007566
C 3.321802 0.474337 -0.145950
C -4.249158 -1.736876 -0.170259
C -4.976086 0.978031 -0.289987
C -5.558922 -1.378758 -0.553715
C -5.925613 -0.013937 -0.614090
C 3.824223 -1.930895 -0.029875
C 4.700799 0.737545 -0.332792
C 5.194290 -1.656931 -0.216894
C 5.634193 -0.318054 -0.368652
H -1.904229 -1.449906 1.677258
H -1.540770 -2.059255 0.072611
H -2.836478 2.616444 -0.119028
H -2.838695 2.008135 1.557046
H -0.262391 3.183224 0.062604
H -3.960134 -2.793957 -0.134141
H -5.255062 2.037622 -0.346912
H -6.286144 -2.156180 -0.811414
H -6.937243 0.273458 -0.919691
H 3.455531 -2.954728 0.090896
H 5.010929 1.781503 -0.447317
H 5.918819 -2.478004 -0.244698
H 6.698678 -0.104176 -0.513768


