%chk=000058183.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058183

0 1
 O   -3.082400       1.832700      0.6477000    
 O    5.242000       1.006000      0.1035000    
 N    2.026000     -0.1436000     -0.2902000    
 C  -0.4233000     -0.2289000     -0.3261000    
 C   -1.677700      0.1015000      -1.139000    
 C   0.8433000      0.1591000      -1.087400    
 C   -2.934900     -0.3099000     -0.4163000    
 C    3.239900      0.2519000     -0.9906000    
 C   -3.571300      0.5781000      0.4393000    
 C   -3.437400      -1.586800     -0.6248000    
 C    4.474300     -5.7500001E-02 -0.1940000    
 C   -4.733800      0.1814000       1.100200    
 C   -4.600000      -1.983500      3.5999998E-02
 C   -5.248200      -1.099400      0.8985000    
 C    4.974800      -1.217600      0.2919000    
 C    6.169600     -0.8544000      0.9582000    
 C    6.287400      0.5085000      0.8150000    
 C   -3.548200       2.862400     -0.2220000    
 H  -0.4571000      0.3008000      0.6350000    
 H  -0.4003000      -1.301800     -9.3999997E-02
 H   -1.694300       1.167700      -1.388000    
 H   -1.635600     -0.4147000      -2.107600    
 H   0.8786000     -0.3935000      -2.033900    
 H   0.8091000       1.229900      -1.323200    
 H    1.968600      0.3515000      0.5999000    
 H    3.214900       1.325400      -1.216700    
 H    3.315600     -0.2824000      -1.945900    
 H   -2.940000      -2.284700      -1.292500    
 H   -5.243800      0.8645000       1.774100    
 H   -5.000200      -2.981000     -0.1204000    
 H   -6.153300      -1.408500       1.413300    
 H    4.553100      -2.207200      0.1914000    
 H    6.858600      -1.504600       1.477600    
 H    7.017200       1.234300       1.142700    
 H   -4.548700       3.179900      8.8000000E-02
 H   -3.574300       2.534700      -1.266100    
 H   -2.869200       3.715300     -0.1385000    


%chk=000058183-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058183

0 1
O -2.867134 1.776777 0.015635
O 5.675640 0.745975 -0.433209
N 2.061822 -0.023225 -0.483871
C -0.409336 -0.259706 -0.605655
C -1.659804 -0.228285 -1.526785
C 0.890638 0.010703 -1.385652
C -2.952281 -0.483809 -0.771582
C 3.360080 0.210191 -1.148277
C -3.549786 0.542611 0.020082
C -3.595132 -1.741477 -0.807875
C 4.486433 0.025193 -0.172090
C -4.744368 0.310627 0.742369
C -4.788186 -1.992753 -0.088276
C -5.359542 -0.961938 0.686036
C 4.649191 -0.726911 0.979926
C 5.992930 -0.479184 1.469093
C 6.584917 0.410134 0.590740
C -3.462697 2.884705 0.763741
H -0.535929 0.503996 0.186752
H -0.330997 -1.242634 -0.104674
H -1.705390 0.761876 -2.019673
H -1.542491 -0.991023 -2.321248
H 1.030956 -0.774311 -2.156910
H 0.792981 0.983330 -1.933819
H 1.937709 0.597473 0.328109
H 3.461072 1.220727 -1.617843
H 3.447723 -0.523008 -1.976852
H -3.149136 -2.537815 -1.416453
H -5.200160 1.101941 1.345256
H -5.263745 -2.977970 -0.136856
H -6.283701 -1.138727 1.247735
H 3.894765 -1.380117 1.411584
H 6.454089 -0.908989 2.356353
H 7.559741 0.885178 0.528167
H -3.519932 2.657269 1.846301
H -4.473802 3.130409 0.384390
H -2.788139 3.738367 0.600431


