%chk=000080450.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080450

0 1
 O   -4.549200     -0.3003000      0.6205000    
 O    3.878100      -1.825000      0.2521000    
 O    4.551700      3.8400002E-02 -0.6930000    
 N   -2.703500     -4.4900000E-02 -0.7765000    
 N    3.662700     -0.6522000     -0.1387000    
 C   -1.516000       1.606400      0.6238000    
 C  -0.1612000       1.015700      0.4252000    
 C   -2.472000       1.356400     -0.5493000    
 C   0.1018000     -0.2858000      0.8520000    
 C   0.8429000       1.764900     -0.1882000    
 C    1.368900     -0.8383000      0.6656000    
 C    2.110100       1.212400     -0.3748000    
 C    2.373100     -8.9299999E-02  5.2099999E-02
 C   -3.727700     -0.7584000     -0.1693000    
 C   -3.759600      -2.199900     -0.6015000    
 H   -1.425500       2.688300      0.7849000    
 H   -1.955000       1.209400       1.548900    
 H   -3.430000       1.849800     -0.3519000    
 H   -2.062000       1.771000      -1.476800    
 H  -0.6704000     -0.8803000       1.333400    
 H   0.6495000       2.779300     -0.5271000    
 H   -2.081600     -0.5278000      -1.418700    
 H    1.537700      -1.855100       1.011100    
 H    2.867600       1.825100     -0.8571000    
 H   -4.425500      -2.766600      5.5199999E-02
 H   -4.126300      -2.264000      -1.629500    
 H   -2.757900      -2.635400     -0.5436000    


%chk=000080450-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080450

0 1
O -4.442288 -0.196705 0.630079
O 3.959359 -1.860631 0.308565
O 4.651638 0.081536 -0.667849
N -2.703647 -0.064642 -0.900515
N 3.752847 -0.651409 -0.097763
C -1.560127 1.606428 0.626567
C -0.165393 1.033741 0.473810
C -2.456140 1.358138 -0.629016
C 0.127573 -0.287894 0.908547
C 0.866823 1.787559 -0.149723
C 1.406469 -0.849630 0.727085
C 2.152592 1.247394 -0.341250
C 2.403442 -0.071248 0.099092
C -3.705133 -0.760791 -0.235955
C -3.866796 -2.227334 -0.625043
H -1.512901 2.700084 0.787545
H -2.078615 1.164992 1.495863
H -3.433762 1.838828 -0.449528
H -1.994480 1.812567 -1.524089
H -0.654412 -0.871833 1.406038
H 0.660570 2.812791 -0.478831
H -2.096944 -0.558588 -1.555450
H 1.647603 -1.862087 1.061714
H 2.957008 1.817399 -0.813584
H -3.821999 -2.850808 0.283962
H -4.866838 -2.372675 -1.069427
H -3.105752 -2.581381 -1.342045


