%chk=000027805.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027805

0 1
 O    3.222500       1.353700       1.577400    
 N   -1.612400     -0.5057000     -0.1537000    
 N   0.9312000       1.065900       1.423500    
 C  -0.9044000      0.7727000     -0.2148000    
 C   -1.643500       1.806800      0.6478000    
 C  -0.7993000       1.227900      -1.678100    
 C   -1.064300       3.214900      0.4977000    
 C  -0.2261000       2.640100      -1.811700    
 C  -0.9989000       3.645000     -0.9639000    
 C   -1.700100     -0.9789000       1.235000    
 C   -2.946300     -0.3841000     -0.7586000    
 C   0.4657000      0.4961000      0.3514000    
 C   -2.394900      -2.339100       1.311500    
 C   -3.681700      -1.725200     -0.7473000    
 C   -3.774100      -2.294900      0.6635000    
 C    1.329300     -0.4874000     -0.3600000    
 C    2.171600     -3.3599999E-02  -1.351000    
 C    1.254900      -1.815200     -8.9999998E-04
 C    2.193200      0.7475000       1.864800    
 C    2.980400     -0.9544000      -2.016900    
 C    2.063800      -2.735900     -0.6668000    
 C    2.926600      -2.305400      -1.674900    
 C    2.206900     -0.4106000       2.826000    
 H   -1.605900       1.581000       1.719800    
 H   -2.700200       1.906900      0.3872000    
 H   -1.779900       1.324600      -2.152300    
 H  -0.2392000      0.5316000      -2.310100    
 H  -6.6500001E-02   3.288500      0.9413000    
 H   -1.692700       3.923000       1.051600    
 H  -0.2567000       2.950100      -2.862900    
 H   0.8252000       2.662500      -1.510100    
 H   -2.016700       3.750300      -1.359300    
 H  -0.5264000       4.631000      -1.037500    
 H   -2.316900     -0.3096000       1.847300    
 H  -0.7515000      -1.064700       1.762600    
 H   -2.910000     -0.1281000      -1.818900    
 H   -3.601700      0.3323000     -0.2567000    
 H   -2.493000      -2.647400       2.358800    
 H   -1.779300      -3.097400      0.8118000    
 H   -3.155500      -2.439200      -1.394200    
 H   -4.689100      -1.602600      -1.162000    
 H   -4.208800      -3.300100      0.6357000    
 H   -4.443700      -1.670600       1.267800    
 H    2.246800       1.014700      -1.613400    
 H   0.6281000      -2.191200      0.7943000    
 H    3.657000     -0.6184000      -2.797300    
 H    2.028200      -3.787000     -0.3954000    
 H    3.558800      -3.021900      -2.191100    
 H    1.209200     -0.8274000       2.980100    
 H    2.868900      -1.192700       2.446300    
 H    2.579100     -5.8499999E-02   3.792400    


%chk=000027805-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027805

0 1
O 3.120012 1.548552 1.842207
N -1.793335 -0.488627 0.115247
N 0.934425 0.860943 1.388636
C -0.985394 0.771005 -0.142729
C -1.509948 1.995721 0.674799
C -1.006557 1.158845 -1.652197
C -0.784457 3.328421 0.358563
C -0.178955 2.433757 -1.941888
C -0.746214 3.637050 -1.155066
C -1.995916 -0.803374 1.557000
C -3.053441 -0.676041 -0.651785
C 0.474219 0.391355 0.263414
C -2.455246 -2.263983 1.746772
C -3.573007 -2.125872 -0.512498
C -3.762700 -2.522207 0.967141
C 1.306987 -0.487203 -0.628738
C 2.653689 -0.111559 -0.905782
C 0.792618 -1.682437 -1.203575
C 2.142068 0.775632 2.079554
C 3.459389 -0.913840 -1.741644
C 1.608525 -2.484858 -2.029540
C 2.943008 -2.103987 -2.304454
C 2.126327 -0.209065 3.245615
H -1.416969 1.792101 1.755520
H -2.591277 2.098530 0.444629
H -2.051951 1.375414 -1.943823
H -0.655370 0.314613 -2.272052
H 0.248790 3.275645 0.749122
H -1.288532 4.151185 0.902672
H -0.202326 2.638442 -3.029632
H 0.884474 2.276094 -1.673383
H -1.772408 3.854382 -1.519576
H -0.139032 4.543202 -1.343286
H -2.764503 -0.131309 2.014174
H -1.050059 -0.629945 2.097903
H -2.871580 -0.471923 -1.718624
H -3.853341 0.028726 -0.305873
H -2.596936 -2.464076 2.826607
H -1.660944 -2.944407 1.381642
H -2.841564 -2.810856 -0.985642
H -4.525406 -2.220700 -1.069601
H -4.068454 -3.582282 1.050211
H -4.578806 -1.914357 1.410525
H 3.059916 0.809359 -0.474558
H -0.239243 -1.963080 -0.969565
H 4.490101 -0.607786 -1.951685
H 1.204155 -3.410301 -2.455278
H 3.573552 -2.727885 -2.948086
H 1.995951 -1.241734 2.871337
H 3.077134 -0.135443 3.794722
H 1.286230 0.010062 3.928348


