%chk=000095106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095106

0 1
 O   0.8701000      -1.909800       1.116000    
 N    1.498600      0.1162000      0.1304000    
 C    2.869500      2.3399999E-02  0.5502000    
 C    1.134100       1.308700     -0.6478000    
 C    3.742600     -0.6932000     -0.4728000    
 C   0.6698000       2.459600      0.2368000    
 C   0.5874000     -0.9033000      0.4670000    
 C  -0.8156000     -0.7756000      4.1800000E-02
 C    5.192600     -0.8153000     -2.6100000E-02
 C   0.2694000       3.691400     -0.5625000    
 C   -1.725000     -0.1431000      0.8756000    
 C   -1.203200      -1.289900      -1.186000    
 C   -3.054600     -2.2000000E-02  0.4717000    
 C   -2.532800      -1.168900      -1.589900    
 C   -3.458400     -0.5348000     -0.7612000    
 C   -4.044500      0.6566000       1.356900    
 H    2.911800     -0.5257000       1.498600    
 H    3.256300       1.028900      0.7532000    
 H   0.3438000       1.053700      -1.359900    
 H    2.000700       1.612500      -1.246900    
 H    3.343300      -1.696900     -0.6635000    
 H    3.709500     -0.1602000      -1.430500    
 H  -0.1759000       2.154900      0.8595000    
 H    1.472900       2.736100      0.9306000    
 H    5.267300      -1.382300      0.9073000    
 H    5.782300      -1.334000     -0.7882000    
 H    5.635800      0.1725000      0.1346000    
 H  -0.5631000       3.465000      -1.236200    
 H  -4.5400001E-02   4.495100      0.1103000    
 H    1.108500       4.057700      -1.162300    
 H   -1.409000      0.2477000       1.839600    
 H  -0.4881000      -1.784700      -1.837300    
 H   -2.847200      -1.568300      -2.549600    
 H   -4.491600     -0.4482000      -1.086800    
 H   -4.482900     -6.5300003E-02   2.053000    
 H   -3.571500       1.459100       1.933200    
 H   -4.850500       1.114200      0.7732000    


%chk=000095106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095106

0 1
O 1.127368 -2.175937 0.467773
N 1.396378 0.116933 0.188410
C 2.830796 -0.048389 0.538414
C 1.010113 1.404775 -0.432530
C 3.697715 -0.524350 -0.652172
C 0.929760 2.594332 0.554141
C 0.612625 -1.038093 0.198563
C -0.865563 -0.941817 -0.099835
C 5.184648 -0.645685 -0.257430
C 0.559834 3.904956 -0.173518
C -1.714656 0.028144 0.489500
C -1.432165 -1.949713 -0.921328
C -3.114071 0.022076 0.262234
C -2.818853 -1.953548 -1.175577
C -3.653912 -0.972868 -0.591808
C -4.014749 1.037832 0.945429
H 2.897191 -0.793581 1.349910
H 3.206835 0.919155 0.921642
H 0.039797 1.279249 -0.940878
H 1.754732 1.648095 -1.219902
H 3.313079 -1.504000 -0.988592
H 3.592269 0.181808 -1.500241
H 0.183038 2.372870 1.340395
H 1.900097 2.719139 1.072417
H 5.315254 -1.367475 0.570321
H 5.795059 -0.997470 -1.108511
H 5.596469 0.327053 0.073682
H -0.420088 3.818288 -0.679647
H 0.500713 4.750932 0.534234
H 1.313039 4.161450 -0.942274
H -1.289886 0.782739 1.162009
H -0.777884 -2.722932 -1.336335
H -3.252323 -2.723409 -1.823623
H -4.732816 -0.986230 -0.789503
H -4.328691 0.679743 1.945192
H -3.501381 2.005004 1.091046
H -4.932770 1.222725 0.360389


