%chk=000039092.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039092

0 1
 O  -0.9189000     -0.1706000      5.0400000E-02
 O   0.7388000      -1.427900       1.038600    
 N   -3.809700      -1.040600     -0.8218000    
 C    1.312200      0.4446000     -0.4272000    
 C    1.000300       1.903100     -3.5300002E-02
 C    2.769700      5.4099999E-02 -0.2344000    
 C   0.3798000     -0.5052000      0.3187000    
 C    1.801000       2.920200     -0.8390000    
 C    3.469800      0.5903000      0.8276000    
 C    3.349300     -0.8251000      -1.126800    
 C    4.806300      0.2321000       1.004600    
 C    4.685800      -1.183200     -0.9497000    
 C   -1.910900     -0.9879000      0.6799000    
 C    5.414200     -0.6544000      0.1161000    
 C   -3.272600     -0.4947000      0.2880000    
 C   -3.887200      0.4674000       1.066200    
 C   -5.148900      0.9029000      0.6760000    
 C   -5.037000     -0.5929000      -1.169900    
 C   -5.741900      0.3676000     -0.4621000    
 H    1.075900      0.3285000      -1.495000    
 H  -6.0600001E-02   2.110000     -0.2279000    
 H    1.130200       2.079400       1.038500    
 H    1.662500       2.765200      -1.914000    
 H    1.458800       3.933000     -0.6013000    
 H    2.871000       2.878600     -0.6205000    
 H    3.025000       1.261500       1.552900    
 H    2.789500      -1.243700      -1.957600    
 H    5.372100      0.6388000       1.837600    
 H    5.159000      -1.874400      -1.640800    
 H   -1.787600     -0.9560000       1.769300    
 H   -1.789200      -2.026400      0.3485000    
 H    6.454300     -0.9345000      0.2547000    
 H   -3.414500      0.8797000       1.951000    
 H   -5.668800       1.658200       1.257400    
 H   -5.455400      -1.041600      -2.064800    
 H   -6.724400      0.6921000     -0.7851000    


%chk=000039092-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039092

0 1
O -0.960416 0.499120 0.566904
O 0.408458 0.442075 2.449504
N -4.227331 -1.122404 1.039000
C 1.231636 1.487713 0.353860
C 1.904085 2.651704 1.144730
C 2.252950 0.475465 -0.186922
C 0.227728 0.770264 1.254950
C 2.857052 3.491939 0.271832
C 3.033618 -0.312066 0.698721
C 2.446998 0.332761 -1.582962
C 3.992113 -1.218003 0.194289
C 3.408433 -0.572040 -2.089146
C -1.995785 -0.243060 1.331391
C 4.185353 -1.350230 -1.201140
C -3.150397 -0.563320 0.404625
C -3.118884 -0.325148 -0.989331
C -4.250090 -0.679216 -1.759759
C -5.307992 -1.460228 0.280590
C -5.368193 -1.258148 -1.117877
H 0.670289 1.908509 -0.499772
H 1.108822 3.300296 1.561759
H 2.445998 2.226320 2.009347
H 2.321090 3.954165 -0.578868
H 3.310544 4.305881 0.865752
H 3.674632 2.873436 -0.139063
H 2.877040 -0.225345 1.780332
H 1.845762 0.933722 -2.276318
H 4.585935 -1.823250 0.888596
H 3.549034 -0.669007 -3.171702
H -2.337387 0.370965 2.183569
H -1.551519 -1.166851 1.745792
H 4.929914 -2.053250 -1.591136
H -2.231360 0.124389 -1.440086
H -4.257031 -0.506679 -2.841358
H -6.150549 -1.906178 0.821746
H -6.262650 -1.546100 -1.679046


