%chk=000126592.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126592

0 1
 O    1.496000     -0.1656000     -0.9811000    
 O    2.772800      0.9397000      0.6531000    
 O    4.810600     -0.9680000      0.3004000    
 O   -1.644900       2.349200     -0.2487000    
 N  -0.6484000      0.2719000     -0.1533000    
 N   -3.018600      0.5607000      7.4000000E-03
 N   -4.420400      -1.275900      0.2716000    
 C   0.6791000      0.7855000     -0.3000000    
 C    1.393100      0.9882000       1.012400    
 C    2.821400      8.9100003E-02 -0.4993000    
 C    3.487400      -1.226500     -0.1428000    
 C  -0.8008000      -1.089400     -2.5900001E-02
 C   -1.764000       1.127700     -0.1377000    
 C   -1.998600      -1.653900      0.1158000    
 C   -3.164800     -0.7328000      0.1282000    
 H   0.6770000       1.710700     -0.8894000    
 H    1.152300       1.941600       1.491000    
 H    1.204300      0.1809000       1.729400    
 H    3.391800      0.6140000      -1.273600    
 H    3.516300      -1.897700      -1.007200    
 H    2.945800      -1.730600      0.6649000    
 H   8.3499998E-02  -1.716000     -1.6700000E-02
 H   -2.140400      -2.720400      0.2281000    
 H    5.210400      -1.826300      0.5216000    
 H   -4.566500      -2.275400      0.3676000    
 H   -5.244700     -0.6849000      0.2855000    


%chk=000126592-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126592

0 1
O 1.683294 0.215380 -1.375214
O 2.919682 1.232780 0.327902
O 4.190636 -1.522210 0.729987
O -1.257698 2.134484 0.828711
N -0.481538 0.236913 -0.288286
N -2.660462 0.238777 0.780270
N -4.013217 -1.642656 0.676811
C 0.731869 1.044470 -0.639600
C 1.500610 1.543888 0.624778
C 2.901845 0.060650 -0.518146
C 2.834627 -1.277063 0.236676
C -0.686548 -1.035569 -0.769508
C -1.505534 0.939934 0.485121
C -1.853085 -1.719229 -0.478026
C -2.833063 -1.025622 0.331240
H 0.410028 1.874243 -1.289239
H 1.425734 2.627254 0.771474
H 1.153946 1.018704 1.533152
H 3.787147 0.092944 -1.171656
H 2.521406 -2.064615 -0.481619
H 2.089793 -1.217855 1.058030
H 0.112888 -1.447237 -1.389972
H -2.016986 -2.729107 -0.858488
H 4.188523 -2.282882 1.361930
H -4.234492 -2.588581 0.379075
H -4.679705 -1.111995 1.235896


