%chk=000159959.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159959

0 1
 O    3.950700       1.451900      4.1200001E-02
 N  -0.5198000      -1.732600     -3.7999999E-02
 N   -3.734100      0.1371000      0.3517000    
 C  -0.9320000      0.4552000      5.5999998E-03
 C   -1.510000     -0.7952000     -1.6400000E-02
 C   -1.772200       1.684300      4.4399999E-02
 C   0.4771000      0.2758000      5.5000000E-03
 C   -2.970700      -1.066600     -4.4399999E-02
 C   -3.234200       1.349200     -0.3308000    
 C   0.7091000      -1.104900     -2.3200000E-02
 C    1.583500       1.148400      2.8600000E-02
 C    1.997700      -1.651200     -3.2800000E-02
 C    2.876600      0.6135000      1.9700000E-02
 C    3.078200     -0.7647000     -1.1100000E-02
 H   -1.740400       2.102600       1.057800    
 H   -1.380300       2.441600     -0.6434000    
 H   -3.267600      -1.372900      -1.054400    
 H   -3.221600      -1.882300      0.6416000    
 H   -3.871900       2.198300     -6.0699999E-02
 H   -3.323700       1.217100      -1.416900    
 H  -0.6588000      -2.733700     -6.2899999E-02
 H   -4.717200     -2.4999999E-03  0.1200000    
 H    1.427900       2.223500      5.2299999E-02
 H    2.157000      -2.724200     -5.5700000E-02
 H    4.089500      -1.164900     -1.7700000E-02
 H    3.633300       2.371100      6.1200000E-02


%chk=000159959-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159959

0 1
O 4.040225 1.439449 0.050560
N -0.530764 -1.781969 -0.057552
N -3.729764 0.156524 0.320601
C -0.964251 0.461105 0.019410
C -1.539016 -0.807794 -0.020341
C -1.806962 1.712112 0.061991
C 0.472661 0.278294 0.013949
C -3.016648 -1.093029 -0.036882
C -3.247360 1.365524 -0.393478
C 0.719703 -1.140806 -0.037926
C 1.576475 1.173138 0.043373
C 2.026207 -1.672403 -0.057583
C 2.877135 0.631695 0.022756
C 3.108752 -0.772795 -0.026929
H -1.839481 2.127485 1.088734
H -1.392225 2.498904 -0.599362
H -3.305270 -1.491568 -1.045462
H -3.277599 -1.873470 0.706407
H -3.932980 2.198558 -0.155462
H -3.246486 1.231272 -1.504300
H -0.677815 -2.788268 -0.081177
H -4.748899 0.046467 0.270693
H 1.416967 2.258487 0.084687
H 2.208755 -2.752049 -0.095276
H 4.143479 -1.126785 -0.039614
H 3.791261 2.395821 0.089384


