%chk=000045546.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045546

0 1
 O    3.077800     -0.4860000      0.3505000    
 N   -3.260900      6.9799997E-02 -0.4731000    
 C   -1.651400      -1.730700     -2.8000001E-02
 C   -3.052100      -1.182600      0.2636000    
 C   -2.355200       1.116000      3.4100000E-02
 C  -0.5749000     -0.6850000      0.1039000    
 C  -0.9088000      0.6802000      8.8299997E-02
 C   0.7700000      -1.068800      0.1821000    
 C   0.1068000       1.640500      0.1887000    
 C   -4.652600      0.5072000     -0.3697000    
 C    1.773800     -0.1046000      0.2701000    
 C    1.442400       1.248400      0.2757000    
 C    4.049100      0.4012000     -0.2022000    
 C    5.236000     -0.4055000     -0.6841000    
 H   -1.619100      -2.125300      -1.051600    
 H   -1.448200      -2.562000      0.6576000    
 H   -3.784400      -1.938900     -4.4900000E-02
 H   -3.181900      -1.026800       1.343300    
 H   -2.649600       1.428900       1.045000    
 H   -2.430100       1.988900     -0.6264000    
 H    1.035800      -2.123300      0.1737000    
 H  -0.1396000       2.699200      0.2060000    
 H   -5.324100     -0.2454000     -0.7977000    
 H   -4.809400       1.428900     -0.9410000    
 H   -4.954900      0.6882000      0.6681000    
 H    2.190600       2.029200      0.3753000    
 H    3.654500      0.9527000      -1.064800    
 H    4.370900       1.108800      0.5699000    
 H    6.007200      0.2456000      -1.105500    
 H    5.671400     -0.9805000      0.1399000    
 H    4.927400      -1.127700      -1.447300    


%chk=000045546-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045546

0 1
O 3.070088 -0.592998 -0.222377
N -3.386121 0.071715 -0.299391
C -1.722801 -1.744612 -0.158176
C -3.057437 -1.200504 0.383199
C -2.425732 1.140677 0.051092
C -0.627785 -0.687194 -0.120195
C -0.972783 0.691666 -0.051631
C 0.731669 -1.063597 -0.172742
C 0.061952 1.653422 -0.040664
C -4.778898 0.502541 -0.090166
C 1.757213 -0.090361 -0.163644
C 1.424236 1.285875 -0.097627
C 4.176702 0.381555 -0.221647
C 5.472724 -0.422084 -0.292862
H -1.879949 -2.066637 -1.206183
H -1.413673 -2.638238 0.417476
H -3.869175 -1.923521 0.181686
H -2.994385 -1.069972 1.495622
H -2.609827 1.516492 1.096268
H -2.600243 2.000248 -0.625278
H 1.017473 -2.120202 -0.223358
H -0.196677 2.718894 0.011548
H -5.469945 -0.290542 -0.426939
H -4.982147 1.409126 -0.689218
H -5.015802 0.739508 0.979506
H 2.195750 2.061198 -0.090915
H 4.075272 1.058297 -1.095484
H 4.132883 0.992543 0.703971
H 6.343899 0.258219 -0.292670
H 5.557221 -1.100524 0.573216
H 5.502799 -1.030393 -1.212919


