%chk=000053602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053602

0 1
 O  -0.7299000      -1.561900      1.8800000E-02
 N   -2.612500      0.4433000      2.6900001E-02
 N   -4.613500     -6.1400000E-02 -0.7377000    
 N    5.346800      0.3900000     -1.7300000E-02
 C   -1.193300      0.8024000      1.9700000E-02
 C    1.188900     -0.2039000      4.4999998E-03
 C  -0.2509000     -0.4097000      1.3800000E-02
 C    1.708300       1.090600      1.0000000E-03
 C    2.050200      -1.301100      5.0000002E-04
 C   -3.370200      0.2492000       1.131900    
 C   -3.381200      0.2512000      -1.071900    
 C    3.950500      0.1908000     -1.0900000E-02
 C    3.089200       1.287900     -6.8999999E-03
 C    3.431100      -1.103600     -7.1999999E-03
 C   -4.613500     -6.3800000E-02  0.6347000    
 H   -1.028500       1.406600     -0.8787000    
 H   -1.018700       1.405400      0.9171000    
 H    1.076400       1.973000      4.3000001E-03
 H    1.670600      -2.319400      3.5000001E-03
 H   -2.989400      0.3418000       2.139400    
 H   -3.007800      0.3463000      -2.082500    
 H    3.482400       2.301400     -9.3999999E-03
 H    4.092000      -1.966700     -9.8999999E-03
 H   -5.508300     -0.2919000       1.195400    
 H    5.971600     -0.4053000     -2.2299999E-02
 H    5.724200       1.328300     -2.2100000E-02


%chk=000053602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053602

0 1
O -0.747822 -1.582415 0.358460
N -2.634960 0.464172 0.001454
N -4.766724 0.259753 -0.754944
N 5.402091 0.364762 -0.095122
C -1.215203 0.799531 0.012666
C 1.188151 -0.170030 0.090410
C -0.272686 -0.426030 0.163490
C 1.754878 1.121963 -0.112999
C 2.078406 -1.275568 0.231452
C -3.377385 -0.101760 1.046479
C -3.519118 0.657986 -1.063605
C 4.027116 0.191234 -0.034032
C 3.143861 1.305386 -0.174641
C 3.465200 -1.108191 0.171277
C -4.683144 -0.216494 0.566105
H -0.980340 1.324300 -0.931533
H -0.997955 1.508727 0.836401
H 1.112317 2.002428 -0.223928
H 1.639076 -2.266631 0.387756
H -2.919124 -0.397108 1.985571
H -3.205741 1.085450 -2.013945
H 3.559533 2.307932 -0.331396
H 4.130025 -1.973442 0.280831
H -5.556972 -0.614690 1.076200
H 6.032390 -0.426674 0.003195
H 5.808631 1.284909 -0.240900


