%chk=000087440.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087440

0 1
 O   -3.230800      -1.535900     -3.9200000E-02
 O    1.349700      -1.525300     -0.9008000    
 O    1.794900       2.378200     -0.3066000    
 O   -1.184500      -1.525100       1.014800    
 N   0.2912000      0.6103000      6.6100001E-02
 C  -0.9574000       1.237400      2.7100001E-02
 C   -2.132900      0.5093000      0.2107000    
 C    2.701700      0.2539000     -3.0200001E-02
 C   -1.016800       2.612500     -0.1985000    
 C    1.552600       1.194400     -9.7099997E-02
 C   -3.367900       1.156400      0.1684000    
 C   -2.251800       3.259600     -0.2408000    
 C   -3.427400       2.531600     -5.7399999E-02
 C   -2.106400     -0.9290000      0.4465000    
 C    2.541000      -1.055200     -0.4348000    
 C    3.906500      0.7346000      0.4423000    
 C    3.631700      -1.921800     -0.3640000    
 C    4.997100     -0.1320000      0.5130000    
 C    4.859700      -1.460200      0.1098000    
 C   -3.323300      -2.954000      0.1337000    
 C   -4.626800      -3.439700     -0.4632000    
 H   0.2661000     -0.3871000      0.2549000    
 H  -0.1597000       3.251800     -0.3500000    
 H   -4.302000      0.6223000      0.3217000    
 H   -2.299800       4.330600     -0.4156000    
 H   -4.388600       3.036400     -8.6999997E-02
 H    4.029900       1.763600      0.7668000    
 H    3.539100      -2.959100     -0.6746000    
 H    5.953000      0.2267000      0.8834000    
 H    5.708900      -2.135000      0.1653000    
 H   -2.480000      -3.437500     -0.3716000    
 H   -3.292200      -3.192700       1.202500    
 H   -4.730500      -4.522200     -0.3479000    
 H   -5.478200      -2.949200      2.0099999E-02
 H   -4.679300      -3.190600      -1.528200    
 H    1.445700      -2.466000      -1.127900    


%chk=000087440-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087440

0 1
O -3.493807 -1.541795 -0.187690
O 1.548776 -1.839673 0.083039
O 1.764181 2.383379 0.100022
O -1.188064 -1.782671 -0.103419
N 0.310183 0.529215 0.026256
C -0.934353 1.206196 0.006001
C -2.171631 0.459722 -0.062118
C 2.793090 0.215300 0.078586
C -1.016582 2.631621 0.052437
C 1.580682 1.122054 0.071131
C -3.412554 1.157247 -0.079512
C -2.259798 3.287416 0.033783
C -3.470819 2.558303 -0.032174
C -2.198284 -1.020785 -0.116824
C 2.795176 -1.208494 0.079551
C 4.056231 0.866172 0.084157
C 4.001447 -1.947133 0.082302
C 5.265354 0.145792 0.087066
C 5.237323 -1.269382 0.084953
C -3.596011 -3.029551 -0.241300
C -5.082867 -3.364525 -0.303064
H 0.270207 -0.511529 0.006958
H -0.086992 3.197973 0.101573
H -4.328551 0.563934 -0.131696
H -2.278902 4.382572 0.071431
H -4.436339 3.073739 -0.046708
H 4.042277 1.960607 0.085820
H 3.969749 -3.044228 0.083881
H 6.221339 0.678555 0.090534
H 6.170214 -1.843544 0.086757
H -3.044649 -3.385872 -1.130469
H -3.104773 -3.445907 0.656966
H -5.217037 -4.460925 -0.343959
H -5.610540 -2.983244 0.587789
H -5.549759 -2.924235 -1.200649
H 1.588584 -2.824303 0.050289


