%chk=000157988.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157988

0 1
 O   0.3182000       1.438300      0.3680000    
 O    3.135200      -1.578300      -1.236300    
 O   -1.037500       2.079200      -1.389200    
 N    2.559100     -0.3324000      0.6433000    
 C    1.195800     -0.8018000      0.7796000    
 C   0.2620000      8.1900001E-02 -7.3299997E-02
 C   -1.169400     -0.4161000     -7.9599999E-02
 C   0.8223000     -0.8577000       2.260300    
 C   -1.564700      -1.317200      -1.051500    
 C   -2.046400      4.2900000E-02  0.8862000    
 C    3.409300     -0.7654000     -0.3572000    
 C   -2.882200      -1.775200      -1.057600    
 C   -3.364000     -0.4151000      0.8801000    
 C  -0.3813000       2.333700     -0.3884000    
 C   -3.781800      -1.324100     -9.1799997E-02
 C    4.757700     -0.1006000     -0.2829000    
 C  -0.2323000       3.708000      0.1905000    
 H    1.159600      -1.827700      0.3900000    
 H   0.6416000      7.2499998E-02  -1.105800    
 H    1.569500      -1.430800       2.821500    
 H  -0.1427000      -1.347600       2.417900    
 H   0.7826000      0.1429000       2.704200    
 H    2.875300      0.3983000       1.274800    
 H  -0.8704000      -1.675200      -1.806000    
 H   -1.742300      0.7398000       1.661400    
 H   -3.207500      -2.483500      -1.814000    
 H   -4.063800     -6.6500001E-02   1.634000    
 H   -4.807400      -1.681500     -9.6000001E-02
 H    5.464400     -0.6288000     -0.9290000    
 H    4.670700      0.9372000     -0.6164000    
 H    5.137900     -0.1235000      0.7424000    
 H   0.8210000       3.999100      0.1876000    
 H  -0.6348000       3.727200       1.206300    
 H  -0.7929000       4.421600     -0.4202000    


%chk=000157988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000157988

0 1
O -0.065314 1.510032 0.570137
O 2.507799 -1.403371 -1.397358
O 1.306667 2.381928 -1.119336
N 2.442033 -0.252503 0.612568
C 1.061903 -0.683265 0.896666
C 0.051874 0.126923 0.016573
C -1.325608 -0.513166 -0.031826
C 0.763718 -0.602716 2.402164
C -1.492647 -1.665068 -0.843962
C -2.422863 -0.028117 0.719676
C 3.065897 -0.612216 -0.573174
C -2.739994 -2.324076 -0.898701
C -3.672404 -0.687207 0.659858
C 0.579876 2.551397 -0.116294
C -3.834837 -1.837506 -0.145745
C 4.425926 0.022120 -0.828969
C 0.239011 3.880894 0.523394
H 0.978747 -1.729642 0.548183
H 0.480541 0.198048 -0.999908
H 1.466278 -1.239903 2.967062
H -0.262439 -0.951978 2.605416
H 0.843319 0.436390 2.770530
H 2.882349 0.427974 1.233477
H -0.647383 -2.033485 -1.439049
H -2.295345 0.868441 1.334285
H -2.859664 -3.209971 -1.532339
H -4.518585 -0.302037 1.240344
H -4.804374 -2.346116 -0.191683
H 5.074273 -0.703912 -1.344289
H 4.290015 0.890992 -1.498825
H 4.924943 0.366771 0.094020
H 0.186440 3.790125 1.620099
H -0.753655 4.211863 0.167142
H 0.984305 4.635957 0.232762


