%chk=000125963.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125963

0 1
 O    1.598400     -0.4995000     -8.7700002E-02
 O    3.600400       1.018700       1.145300    
 O  -0.5045000       2.065600     -0.7343000    
 N  -0.6756000     -0.8685000     -0.3560000    
 N   -1.068700      -2.096600     -1.2400000E-02
 N   -2.568700     -0.4980000      0.6413000    
 N   -2.504100       2.295700      0.3140000    
 C   0.5826000     -0.6789000      -1.064200    
 C   -1.560200      7.7699997E-02  2.8899999E-02
 C    2.875700     -0.3345000     -0.6917000    
 C    3.916600     -0.1478000      0.3952000    
 C   -1.465800       1.485100     -0.1698000    
 C   -2.226000      -1.818900      0.5916000    
 H   0.7700000      -1.585900      -1.651000    
 H   0.5027000      0.1738000      -1.742200    
 H    3.119300      -1.218400      -1.291400    
 H    2.849200      0.5481000      -1.341300    
 H    4.920200     -3.8100000E-02 -2.5699999E-02
 H    3.910700     -0.9938000       1.088900    
 H   -2.838900      -2.603800       1.009100    
 H   -3.312400       1.907200      0.7896000    
 H   -2.474500       3.303500      0.2007000    
 H    3.623100       1.775100      0.5346000    


%chk=000125963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125963

0 1
O 1.614988 -1.162931 -0.045362
O 2.724890 1.529549 -0.975729
O 0.251618 1.952082 0.132500
N -0.656375 -0.868138 -0.582938
N -1.443463 -2.016993 -0.692955
N -2.530914 -0.409089 0.560888
N -1.743411 2.120199 1.321228
C 0.693624 -0.875610 -1.143707
C -1.317809 0.080398 0.176844
C 3.028810 -0.868394 -0.383869
C 3.406655 0.589895 -0.089680
C -0.848096 1.450928 0.528704
C -2.562427 -1.677246 0.010147
H 0.708294 -1.683921 -1.898689
H 0.914321 0.101630 -1.605923
H 3.615677 -1.556128 0.251770
H 3.228320 -1.106097 -1.449067
H 4.492729 0.714602 -0.265669
H 3.197237 0.813155 0.977100
H -3.398706 -2.362394 0.115268
H -2.614294 1.653283 1.586573
H -1.533834 3.071463 1.619704
H 1.841667 1.777556 -0.575640


