%chk=000126895.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126895

1 1
 O  -0.6057000     -0.4306000     -3.6600001E-02
 O   -1.627500      0.8212000       1.600700    
 O    2.108700       2.576600       1.119400    
 O    2.484500       2.876700      -1.102400    
 N    1.888900      -1.904900     -9.2000002E-03
 C    1.739400     -0.5487000     -0.5971000    
 C   0.6551000      0.2199000      0.1524000    
 C   0.5645000      -2.676600     -7.9000004E-02
 C    2.952700      -2.710800     -0.7661000    
 C    2.313500      -1.815800       1.462400    
 C   0.5298000       1.638000     -0.4031000    
 C   -2.957500     -9.6000001E-02 -0.2330000    
 C   -1.676800      0.1666000      0.5662000    
 C   -3.210100      -1.607400     -0.3135000    
 C   -4.148400      0.5724000      0.4726000    
 C   -2.814700      0.4987000      -1.640400    
 C    1.803500       2.420700     -0.1931000    
 H    2.715000     -5.3599998E-02 -0.5381000    
 H    1.472100     -0.6773000      -1.653500    
 H   0.8708000      0.2852000       1.222900    
 H  -7.9800002E-02  -2.417200      0.7641000    
 H   0.8002000      -3.741600      3.0600000E-02
 H   0.1080000      -2.524300      -1.061200    
 H    2.628400      -2.808300      -1.806300    
 H    3.898400      -2.164100     -0.7072000    
 H    3.050700      -3.695400     -0.2996000    
 H    2.592800      -2.820900       1.794800    
 H    1.481800      -1.464900       2.077300    
 H    3.174000      -1.144300       1.534000    
 H  -0.2805000       2.220300      4.6700001E-02
 H   0.3098000       1.608500      -1.477800    
 H   -3.233300      -2.057000      0.6859000    
 H   -4.165400      -1.824000     -0.8045000    
 H   -2.426200      -2.118700     -0.8824000    
 H   -4.280800      0.1787000       1.487100    
 H   -5.082000      0.4039000     -7.5800002E-02
 H   -4.002200       1.655500      0.5588000    
 H   -2.004200      1.9400001E-02  -2.201100    
 H   -3.736300      0.3729000      -2.219500    
 H   -2.587700       1.570000      -1.594100    
 H    2.935600       3.089400       1.244500    


%chk=000126895-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126895

1 1
O -0.669097 -0.145752 -0.480023
O -1.519060 1.016362 1.349455
O 2.894004 1.814683 0.648654
O 2.346934 3.722938 -0.565346
N 1.850103 -1.969894 0.122482
C 1.705953 -0.630952 -0.647583
C 0.678351 0.364848 -0.101153
C 0.670644 -2.903087 -0.162250
C 3.137026 -2.639907 -0.365669
C 1.964166 -1.726846 1.628347
C 0.875703 1.761233 -0.733003
C -3.116532 -0.082705 -0.228483
C -1.754773 0.329320 0.335812
C -3.138156 -1.602300 -0.556754
C -4.208503 0.260962 0.814353
C -3.346062 0.739479 -1.536911
C 2.079848 2.555498 -0.243493
H 2.698947 -0.155905 -0.604912
H 1.462391 -0.897725 -1.690591
H 0.723505 0.474963 0.995521
H -0.265246 -2.372485 0.054026
H 0.773316 -3.800061 0.468161
H 0.691923 -3.186390 -1.225850
H 3.113982 -2.706074 -1.464203
H 4.001240 -2.038786 -0.044674
H 3.201479 -3.650136 0.066616
H 2.310257 -2.656137 2.106117
H 0.980346 -1.452309 2.034479
H 2.684280 -0.913950 1.807385
H -0.012522 2.376792 -0.503142
H 0.928271 1.701984 -1.836654
H -2.966493 -2.215291 0.348226
H -4.134601 -1.868493 -0.950467
H -2.388724 -1.863956 -1.323677
H -4.069792 -0.308515 1.750062
H -5.200511 0.010113 0.400037
H -4.198094 1.333694 1.069693
H -2.581916 0.509920 -2.299382
H -4.337399 0.481396 -1.948910
H -3.337704 1.825769 -1.336077
H 3.631614 2.399901 0.975582


