%chk=000076417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076417

0 1
 O    1.106500      0.3769000     -6.8400003E-02
 O   -1.102000      0.3808000      7.0299998E-02
 O  -1.3000000E-03  -1.643400      1.1000000E-03
 N    4.771500      3.6300000E-02 -0.2637000    
 N   -4.759200      4.2399999E-02  0.2619000    
 C    3.479100      0.7194000     -0.2186000    
 C   -3.483100      0.7178000      0.2189000    
 C    2.354700     -0.2997000     -0.1477000    
 C   -2.358200     -0.3009000      0.1485000    
 C    4.943200     -0.8108000      0.9160000    
 C    5.860300       1.008000     -0.3582000    
 C   -4.945400     -0.8124000     -0.9180000    
 C   -5.864500       1.005200      0.3565000    
 C  -1.7000000E-03 -0.4197000      1.4000000E-03
 H    3.410000       1.409200      0.6334000    
 H    3.339200       1.331600      -1.118700    
 H   -3.408200       1.408600     -0.6319000    
 H   -3.338700       1.331200       1.117700    
 H    2.424200     -0.9260000      0.7467000    
 H    2.364900     -0.9409000      -1.037800    
 H   -2.423300     -0.9257000     -0.7473000    
 H   -2.365100     -0.9417000       1.038800    
 H    5.976000      -1.176800      0.9746000    
 H    4.729900     -0.2801000       1.851100    
 H    4.332700      -1.717400      0.8622000    
 H    5.746600       1.627900      -1.254600    
 H    5.902300       1.668900      0.5152000    
 H    6.825700      0.4982000     -0.4524000    
 H   -5.978000      -1.180500     -0.9623000    
 H   -4.742800     -0.2816000      -1.855300    
 H   -4.331400      -1.716700     -0.8685000    
 H   -5.751900       1.630600       1.249200    
 H   -5.915900       1.660000     -0.5209000    
 H   -6.822700      0.4837000      0.4585000    


%chk=000076417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076417

0 1
O 1.112244 0.286039 -0.046562
O -1.114033 0.284243 0.050022
O 0.000134 -1.784808 -0.014788
N 4.847955 0.059469 -0.089625
N -4.849789 0.056980 0.094214
C 3.494212 0.649043 0.021710
C -3.495890 0.645445 -0.021016
C 2.418646 -0.432287 -0.135249
C -2.419785 -0.436454 0.128109
C 5.271825 -0.665708 1.126760
C 5.862702 1.041291 -0.524348
C -5.275542 -0.672859 -1.118734
C -5.862726 1.042162 0.525491
C -0.000506 -0.532162 -0.004871
H 3.335550 1.192262 0.986063
H 3.362751 1.385806 -0.790971
H -3.341087 1.192023 -0.984196
H -3.360525 1.379115 0.793852
H 2.454925 -1.201116 0.656168
H 2.497078 -0.929292 -1.117319
H -2.452511 -1.197817 -0.670602
H -2.500412 -0.942343 1.105492
H 6.247109 -1.150604 0.944336
H 5.377421 0.002364 2.019482
H 4.547536 -1.459141 1.378312
H 5.557483 1.495513 -1.483355
H 6.031069 1.866010 0.213941
H 6.827773 0.527309 -0.682946
H -6.253671 -1.151447 -0.934942
H -5.376443 -0.009395 -2.015454
H -4.555291 -1.471718 -1.364595
H -5.555847 1.500151 1.482189
H -6.030552 1.863985 -0.216166
H -6.828401 0.530341 0.687296


