%chk=000096847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096847

0 1
 O   0.1409000     -0.4715000     -0.1279000    
 O    6.227800      0.8746000      -1.095100    
 N  -0.5637000      -1.360700       1.800200    
 N   0.8043000      -1.181500       1.887100    
 C   -3.035300      0.2418000      8.0100000E-02
 C   -2.192100     -0.8762000     -2.6300000E-02
 C   -4.290300      0.2267000     -0.5742000    
 C  -0.8934000     -0.9333000      0.6148000    
 C   -2.580500      -1.993200     -0.7667000    
 C   -2.660900       1.374600      0.8210000    
 C   -4.664800     -0.9058000      -1.315500    
 C   -5.133600       1.344700     -0.4681000    
 C   -3.814400      -2.007900      -1.410200    
 C    2.468300     -0.2676000      0.2694000    
 C    1.172300     -0.6607000      0.7399000    
 C   -3.511500       2.476400      0.9159000    
 C   -4.745500       2.461400      0.2726000    
 C    2.619900      0.2740000      -1.011600    
 C    3.593100     -0.4217000       1.087400    
 C    4.997900      0.5005000     -0.6486000    
 C    3.880700      0.6567000      -1.469400    
 C    4.854100     -3.8800001E-02  0.6297000    
 C    7.326700      0.6873000     -0.2045000    
 H   -1.931900      -2.862100     -0.8529000    
 H   -1.707200       1.432500       1.340200    
 H   -5.624600     -0.9393000      -1.826700    
 H   -6.102600       1.355000     -0.9627000    
 H   -4.116300      -2.877400      -1.986700    
 H   -3.210100       3.346400       1.492200    
 H   -5.407200       3.319600      0.3467000    
 H    1.773900      0.4117000      -1.680500    
 H    3.504400     -0.8398000       2.087600    
 H    3.987000       1.076400      -2.466100    
 H    5.678600     -0.1877000       1.318600    
 H    7.482800     -0.3723000      2.4800001E-02
 H    7.220400       1.296400      0.6996000    
 H    8.225700       1.037900     -0.7221000    


%chk=000096847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096847

0 1
O 0.038439 -0.399134 -0.008584
O 6.165396 1.762775 0.050998
N -0.361471 -2.625830 0.255184
N 1.049047 -2.419496 0.307307
C -2.973658 0.137064 -0.290637
C -2.378708 -1.163072 -0.034882
C -4.424374 0.219326 -0.360508
C -0.942435 -1.426458 0.069712
C -3.208194 -2.294192 0.131683
C -2.226215 1.348716 -0.483667
C -5.222260 -0.956227 -0.182783
C -5.052917 1.484648 -0.610630
C -4.621740 -2.193818 0.057879
C 2.520045 -0.376934 0.125731
C 1.262882 -1.104756 0.149930
C -2.869962 2.565137 -0.727286
C -4.295212 2.640964 -0.791282
C 2.562280 1.037415 -0.040186
C 3.738783 -1.092036 0.271998
C 5.002207 0.989792 0.086253
C 3.789750 1.714134 -0.059888
C 4.974738 -0.420469 0.253426
C 7.452922 1.073995 0.196394
H -2.732104 -3.260736 0.322127
H -1.137429 1.316527 -0.438977
H -6.313531 -0.867013 -0.239458
H -6.147758 1.523502 -0.658064
H -5.232212 -3.092347 0.192866
H -2.273929 3.473194 -0.871483
H -4.784313 3.602201 -0.982069
H 1.629238 1.598232 -0.151386
H 3.700633 -2.178592 0.399514
H 3.840786 2.799436 -0.185781
H 5.898503 -0.994458 0.367756
H 7.611528 0.344965 -0.621176
H 7.524605 0.561225 1.174654
H 8.209542 1.869418 0.137314


