%chk=000041672.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041672

0 1
 O   -1.246200       2.490700      0.3066000    
 N   -2.531500     -0.7240000      0.3130000    
 C  -0.4537000      0.3552000     -0.4385000    
 C   -1.850900     -7.0100002E-02 -0.8042000    
 C    1.893300     -0.1549000     -0.3126000    
 C   0.5931000     -0.5331000     -0.6474000    
 C  -0.2238000       1.614500      9.9200003E-02
 C    3.025400      -1.100400     -0.5327000    
 C    2.135000       1.108000      0.2280000    
 C    1.076400       1.992600      0.4339000    
 C   -1.797200      -1.918000      0.7303000    
 C   -3.903300      -1.070600     -5.6400001E-02
 C    3.283400      -1.989900      0.6808000    
 H   -2.420900      0.8099000      -1.130100    
 H   -1.813300     -0.7268000      -1.685500    
 H   0.4120000      -1.513400      -1.080800    
 H    2.823300      -1.729600      -1.408600    
 H    3.938200     -0.5417000     -0.7748000    
 H    3.143200       1.414000      0.4946000    
 H    1.279100       2.973200      0.8564000    
 H  -0.8637000      -1.671600       1.245000    
 H   -1.595000      -2.603700     -0.1007000    
 H   -2.380700      -2.475400       1.474000    
 H   -4.432600      -1.511900      0.7956000    
 H   -3.940900      -1.779900     -0.8912000    
 H   -4.464500     -0.1732000     -0.3403000    
 H    3.534100      -1.392300       1.563700    
 H    4.118500      -2.668700      0.4810000    
 H    2.402800      -2.594900      0.9223000    
 H  -0.8887000       3.311600      0.6865000    


%chk=000041672-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041672

0 1
O -1.383943 2.354047 0.252568
N -2.564149 -0.775403 0.274801
C -0.423882 0.267746 -0.494462
C -1.812583 -0.213850 -0.878986
C 2.029555 -0.112912 -0.342683
C 0.723628 -0.528022 -0.711881
C -0.239803 1.547745 0.095203
C 3.230370 -1.027088 -0.544141
C 2.170773 1.162371 0.256468
C 1.048808 1.992539 0.470946
C -2.004527 -2.043215 0.772905
C -4.011897 -0.857638 0.009082
C 3.447923 -1.997155 0.648627
H -2.398489 0.641128 -1.260464
H -1.721953 -0.962602 -1.710076
H 0.589032 -1.508034 -1.189979
H 3.099697 -1.621625 -1.469099
H 4.145467 -0.419939 -0.684210
H 3.166566 1.517133 0.549387
H 1.179509 2.986965 0.919066
H -0.950088 -1.899462 1.064230
H -2.045662 -2.872545 0.017214
H -2.566159 -2.368238 1.667081
H -4.536660 -1.196565 0.920753
H -4.277962 -1.563867 -0.820626
H -4.396733 0.143310 -0.255406
H 3.614116 -1.436495 1.586481
H 4.324480 -2.648806 0.475536
H 2.562828 -2.642341 0.797374
H -1.147363 3.208422 0.691390


