%chk=000097393.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097393

0 1
 O   -3.633000      0.5095000     -0.7808000    
 N   -3.003600      -1.315300      0.4070000    
 C   0.1134000      0.7035000      0.8275000    
 C    1.474000      0.7094000       1.443900    
 C   -1.986800     -0.3912000      0.4129000    
 C  -0.7150000     -0.4144000       1.003000    
 C    2.555200      0.1436000      0.5468000    
 C   -2.368400      0.7271000     -0.3136000    
 C  -0.3113000       1.812900      8.5900001E-02
 C   -1.576800       1.852100     -0.5094000    
 C   -3.939800     -0.7309000     -0.3079000    
 C    3.237200      0.9933000     -0.3059000    
 C    2.835900      -1.210000      0.6001000    
 C    4.232600      0.4722000      -1.132500    
 C    3.831300      -1.731200     -0.2264000    
 C   -5.274500      -1.240600     -0.6580000    
 C    4.529700     -0.8901000      -1.092700    
 H    1.457800      0.1537000       2.392100    
 H    1.745300       1.731300       1.743900    
 H  -0.3894000      -1.275600       1.577800    
 H   0.3458000       2.671200     -3.8100000E-02
 H   -1.914800       2.705000      -1.084500    
 H    3.014000       2.055500     -0.3437000    
 H    2.298500      -1.873100       1.271500    
 H    4.776500       1.127200      -1.807000    
 H    4.062800      -2.791900     -0.1954000    
 H   -6.053400     -0.5805000     -0.2650000    
 H   -5.388800      -1.304600      -1.744200    
 H   -5.430600      -2.239300     -0.2393000    
 H    5.304800      -1.295800      -1.736100    


%chk=000097393-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097393

0 1
O -3.723983 0.126218 -1.056298
N -3.467998 -0.932843 0.993194
C 0.069436 0.437153 0.689036
C 1.421293 0.555348 1.394920
C -2.236311 -0.311980 0.631378
C -0.996444 -0.265061 1.300278
C 2.635533 0.224300 0.527512
C -2.392818 0.335817 -0.623698
C -0.125548 1.071796 -0.577166
C -1.361772 1.036752 -1.260681
C -4.302900 -0.662423 0.003599
C 3.732758 1.117603 0.448446
C 2.702906 -0.996809 -0.193289
C 4.873029 0.801579 -0.326834
C 3.839122 -1.317033 -0.967357
C -5.729543 -1.051230 -0.167189
C 4.930543 -0.418452 -1.037308
H 1.413190 -0.108485 2.282053
H 1.538666 1.585734 1.785965
H -0.869526 -0.761597 2.267648
H 0.720107 1.596908 -1.035325
H -1.500129 1.526440 -2.228056
H 3.695941 2.066815 0.998098
H 1.856876 -1.693480 -0.150407
H 5.711622 1.505586 -0.375878
H 3.875131 -2.265054 -1.516320
H -6.374537 -0.159342 -0.260663
H -5.868328 -1.656705 -1.080722
H -6.049765 -1.638250 0.706195
H 5.812048 -0.666306 -1.639231


