%chk=000037896.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037896

0 1
 O    5.989300      -1.237200      8.3600000E-02
 O  -2.0800000E-02  0.8315000      3.2900002E-02
 O    2.278700       2.032200      0.1264000    
 N    3.560700      0.1419000     -0.2904000    
 N   -1.178300      4.3000001E-02 -4.1200001E-02
 C    4.830300      0.8659000     -0.2293000    
 C    3.688200      -1.265100     -0.6848000    
 C    5.844600      8.9100003E-02  0.5980000    
 C    4.754200      -1.954200      0.1578000    
 C    2.360000      0.8221000     -9.8999999E-02
 C    1.100300     -2.9000000E-03 -0.1739000    
 C   -2.254200      0.7497000      0.1409000    
 C   -3.574700      6.7100003E-02  6.4499997E-02
 C   -4.666500      0.7828000     -0.3771000    
 C   -3.659600      -1.256800      0.4376000    
 C   -2.232000       2.240600      0.4151000    
 C   -5.904000      0.1431000     -0.4489000    
 C   -4.897100      -1.896400      0.3656000    
 C   -6.019200      -1.196400     -7.7699997E-02
 H    4.692300       1.870900      0.1806000    
 H    5.181500      0.9654000      -1.263200    
 H    3.986100      -1.262200      -1.740000    
 H    2.744100      -1.805900     -0.6039000    
 H    6.822700      0.5775000      0.5497000    
 H    5.546300      3.7599999E-02   1.651800    
 H    4.444600      -2.032200       1.206800    
 H    4.931000      -2.967600     -0.2156000    
 H    1.129400     -0.7727000      0.6052000    
 H    1.028900     -0.4609000      -1.166500    
 H   -4.601400       1.817900     -0.6963000    
 H   -2.799800      -1.816500      0.7933000    
 H   -3.159600       2.587600      0.8772000    
 H   -1.425800       2.484800       1.113400    
 H   -2.067700       2.777300     -0.5235000    
 H   -6.776900      0.6861000     -0.7995000    
 H   -4.987600      -2.939000      0.6562000    
 H   -6.982500      -1.694800     -0.1347000    


%chk=000037896-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037896

0 1
O 6.035932 -1.270626 0.404591
O 0.018746 0.893644 -0.086892
O 2.418828 2.059698 -0.002843
N 3.615596 0.092264 -0.343834
N -1.203623 0.083274 -0.110108
C 4.908545 0.814530 -0.343299
C 3.744182 -1.364304 -0.558366
C 5.863509 0.171223 0.676919
C 4.738184 -1.956704 0.466937
C 2.429569 0.806925 -0.181146
C 1.140153 -0.033074 -0.231247
C -2.281722 0.840601 0.021240
C -3.585214 0.114314 0.010537
C -4.807393 0.826736 0.154962
C -3.640796 -1.302523 -0.143058
C -2.247786 2.347215 0.176338
C -6.045918 0.147546 0.147057
C -4.876232 -1.976559 -0.150580
C -6.087797 -1.255882 -0.005436
H 4.703633 1.870247 -0.098261
H 5.355947 0.760498 -1.356091
H 4.127251 -1.550708 -1.582668
H 2.768763 -1.867868 -0.461439
H 6.874172 0.604097 0.603323
H 5.471346 0.313283 1.706713
H 4.313147 -1.872783 1.491336
H 4.951550 -3.014554 0.241156
H 1.115935 -0.776360 0.590719
H 1.055618 -0.575999 -1.193993
H -4.797722 1.914737 0.274359
H -2.703008 -1.854625 -0.255017
H -2.720552 2.648768 1.129187
H -1.212772 2.716123 0.163202
H -2.809719 2.833770 -0.642040
H -6.976450 0.715013 0.259992
H -4.899996 -3.065766 -0.269550
H -7.048406 -1.782873 -0.011602


