%chk=000039930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039930

0 1
 O   -6.003200      3.9999999E-04 -0.3261000    
 O   -5.396600     -2.4000001E-03   1.894400    
 N   0.2151000      5.0000002E-04  -1.257400    
 N    3.933200     -6.0000003E-04  0.6777000    
 C    1.475900       0.000000     -0.6011000    
 C    2.090600      -1.214900     -0.2813000    
 C    2.091100       1.214500     -0.2810000    
 C    3.336300      -1.167600      0.3671000    
 C    3.336800       1.166700      0.3673000    
 C    1.495300      -2.450000     -0.5913000    
 C    1.496300       2.450000     -0.5907000    
 C   -1.099700      1.6000000E-03 -0.7737000    
 C    3.953400      -2.373800      0.6882000    
 C    3.954400       2.372500      0.6887000    
 C    2.133000      -3.641600     -0.2595000    
 C    2.134400       3.641400     -0.2586000    
 C    3.364600      -3.603100      0.3815000    
 C    3.366000       3.602100      0.3825000    
 C   -1.346400      1.4000000E-03  0.6041000    
 C   -2.180000      1.4000000E-03  -1.663400    
 C   -3.726900      6.9999998E-04  0.1924000    
 C   -2.655500      8.9999998E-04   1.085600    
 C   -3.489200      1.0000000E-03  -1.182000    
 C   -5.092000     -1.0000000E-03  0.6945000    
 C   -7.386800      1.9999999E-04  4.1999999E-02
 H   0.3002000      2.6000000E-03  -2.269700    
 H   0.5353000      -2.516400      -1.096500    
 H   0.5363000       2.517000      -1.095900    
 H    4.919000      -2.370000       1.190700    
 H    4.920000       2.368100       1.191200    
 H    1.671700      -4.594200     -0.5011000    
 H    1.673500       4.594300     -0.4998000    
 H    3.870900      -4.527100      0.6446000    
 H    3.872600       4.525800      0.6459000    
 H  -0.5312000      1.2000001E-03   1.323100    
 H   -2.009800      1.2000001E-03  -2.737300    
 H   -2.818800      3.9999999E-04   2.160200    
 H   -4.291700      6.0000003E-04  -1.914200    
 H   -7.623600      0.8994000      0.6181000    
 H   -7.623900     -0.9004000      0.6160000    
 H   -7.982900      1.3000000E-03 -0.8744000    


%chk=000039930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039930

0 1
O -6.081280 -0.002664 -0.299623
O -5.351881 -0.008961 1.916299
N 0.233970 0.005110 -1.460596
N 3.931469 -0.000636 0.773858
C 1.447252 0.003168 -0.686254
C 2.056805 -1.228897 -0.314173
C 2.061405 1.233352 -0.315567
C 3.318970 -1.175036 0.423120
C 3.323533 1.175638 0.421506
C 1.490004 -2.512697 -0.632032
C 1.499147 2.518897 -0.634463
C -1.061105 0.002776 -0.926583
C 3.956915 -2.409447 0.799055
C 3.966232 2.408092 0.795753
C 2.135478 -3.683628 -0.247080
C 2.149116 3.687862 -0.251082
C 3.381116 -3.632709 0.472211
C 3.394911 3.633118 0.467652
C -1.289217 -0.001659 0.481649
C -2.183174 0.004823 -1.810192
C -3.719310 -0.002060 0.101936
C -2.601089 -0.004023 0.978668
C -3.489805 0.002446 -1.301182
C -5.078045 -0.004800 0.687624
C -7.467287 -0.005542 0.215072
H 0.325719 0.009096 -2.478056
H 0.537964 -2.547635 -1.170930
H 0.546826 2.556769 -1.172684
H 4.900573 -2.337144 1.348075
H 4.909773 2.332903 1.344586
H 1.694277 -4.656985 -0.487713
H 1.711326 4.662583 -0.492428
H 3.871647 -4.567710 0.763905
H 3.889036 4.566617 0.758087
H -0.439291 -0.003135 1.170859
H -2.017980 0.008221 -2.894994
H -2.787526 -0.007426 2.057852
H -4.347605 0.004006 -1.979402
H -7.650558 0.889799 0.833254
H -7.648889 -0.905047 0.827676
H -8.101721 -0.003339 -0.682864


