%chk=000078661.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078661

0 1
 O   -1.103200       2.220600      0.9379000    
 O    3.588000      -2.823800     -1.1800000E-02
 O    1.519900      -3.269800      0.5744000    
 N    1.091400       2.972000     -0.3912000    
 N    2.408900      -2.460000      0.2160000    
 C   0.4687000      0.6753000      0.1555000    
 C    1.406500       1.603800     -0.2348000    
 C  -0.9371000       1.102000      0.4288000    
 C   0.7659000     -0.6608000      0.3115000    
 C   -2.081500      0.2599000      0.1198000    
 C    2.710400       1.175300     -0.4825000    
 C    2.070100      -1.089400      6.3800000E-02
 C    3.042300     -0.1712000     -0.3334000    
 C   -1.887800     -0.9975000     -0.4524000    
 C   -3.372900      0.7091000      0.3958000    
 C    2.043500       4.015500     -0.1757000    
 C   -2.985600      -1.805500     -0.7487000    
 C   -4.470600     -9.9100001E-02  9.9699996E-02
 C   -4.276800      -1.356400     -0.4726000    
 H   8.8000000E-02  -1.348600      0.8072000    
 H    3.489300       1.861700     -0.8019000    
 H    4.067600     -0.4695000     -0.5369000    
 H   0.1100000       3.225500     -0.3757000    
 H  -0.9704000      -1.372500     -0.8812000    
 H   -3.551200       1.684500      0.8408000    
 H    2.545500       3.909100      0.7917000    
 H    1.533600       4.984500     -0.1767000    
 H    2.794300       4.046300     -0.9716000    
 H   -2.840000      -2.767500      -1.232200    
 H   -5.476400      0.2512000      0.3123000    
 H   -5.132000      -1.981400     -0.7122000    


%chk=000078661-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078661

0 1
O -1.295879 2.418381 0.230203
O 3.659340 -2.830751 0.322405
O 1.438079 -3.301139 0.591413
N 1.209360 3.037482 -0.168848
N 2.413748 -2.472963 0.380120
C 0.413417 0.726253 0.064849
C 1.492142 1.700971 -0.099843
C -1.002802 1.168679 0.088895
C 0.755680 -0.635813 0.241436
C -2.138783 0.200759 -0.063402
C 2.846388 1.224440 -0.184431
C 2.095873 -1.055655 0.190784
C 3.147535 -0.128074 -0.042044
C -2.098540 -0.910915 -0.949094
C -3.342074 0.481243 0.640202
C 2.205980 4.086935 -0.382292
C -3.233095 -1.736037 -1.107016
C -4.466788 -0.353876 0.494292
C -4.414882 -1.467554 -0.378912
H -0.014025 -1.383671 0.445900
H 3.657046 1.940576 -0.341693
H 4.176604 -0.494779 -0.088579
H 0.206355 3.265725 -0.012598
H -1.200093 -1.111649 -1.541627
H -3.374544 1.360303 1.291913
H 2.956068 4.114856 0.432324
H 1.692507 5.060706 -0.407502
H 2.741875 3.956515 -1.342274
H -3.194175 -2.584231 -1.798641
H -5.383194 -0.138235 1.054102
H -5.290721 -2.115181 -0.496345


