%chk=000052014.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052014

1 1
 O   0.1682000      2.0800000E-02  0.9107000    
 O    1.411100       2.003800      0.4193000    
 N   -3.398600     -1.6100001E-02 -0.1858000    
 N    2.223500      -2.714000      6.4900003E-02
 N    4.575700      0.9947000     -0.7320000    
 C   -2.194100     -0.3405000      0.6860000    
 C   -3.132800     -0.4789000      -1.611200    
 C   -4.626400     -0.7314000      0.3591000    
 C   -3.641300       1.486300     -0.1775000    
 C  -0.9676000      0.3490000      0.1216000    
 C    1.326500      0.6204000      0.4325000    
 C    2.376300     -0.1300000      4.2100001E-02
 C    2.290300      -1.555500      5.5199999E-02
 C    3.589100      0.4915000     -0.3849000    
 H   -2.406000     -8.5000005E-03   1.709500    
 H   -2.064600      -1.429400      0.7049000    
 H   -2.765100      -1.509000      -1.585300    
 H   -4.079100     -0.4369000      -2.160500    
 H   -2.421400      0.1899000      -2.101900    
 H   -4.798500     -0.3888000       1.383800    
 H   -5.484900     -0.4870000     -0.2736000    
 H   -4.434500      -1.808300      0.3414000    
 H   -3.652100       1.835600      0.8592000    
 H   -2.874300       1.998300     -0.7634000    
 H   -4.614800       1.672700     -0.6427000    
 H  -0.7516000      2.4700001E-02 -0.9007000    
 H   -1.092600       1.434800      0.1320000    
 H   0.6448000       2.331000      0.9203000    


%chk=000052014-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052014

1 1
O 0.123545 1.418146 0.890918
O 2.334495 1.673388 1.366083
N -3.233133 -0.081660 -0.252932
N 0.005150 -1.896517 -0.873826
N 4.362391 -0.808589 -0.228149
C -1.966804 0.230576 0.574757
C -2.876821 -0.590776 -1.656780
C -3.990519 -1.192729 0.486146
C -4.134149 1.148810 -0.359467
C -0.970206 1.202257 -0.093141
C 1.411565 0.922494 0.718147
C 1.812766 -0.227480 0.038859
C 0.852032 -1.149862 -0.473250
C 3.205925 -0.536733 -0.097588
H -2.308883 0.655679 1.533760
H -1.474062 -0.735199 0.763495
H -2.117439 -1.385111 -1.571206
H -3.794350 -0.977783 -2.125510
H -2.485121 0.242186 -2.259879
H -4.189817 -0.870136 1.519555
H -4.939886 -1.384423 -0.036372
H -3.373028 -2.103603 0.485929
H -4.411251 1.483366 0.652136
H -3.605111 1.952788 -0.891667
H -5.039639 0.876529 -0.922786
H -0.560588 0.822080 -1.042157
H -1.397707 2.206797 -0.244196
H 1.965845 2.524703 1.722118


