%chk=000050865.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050865

0 1
 O   -1.355900     -0.7981000     -0.6560000    
 N    5.957100     -0.3268000      0.3022000    
 N    7.040700      0.5899000      0.4515000    
 C    2.237500      0.2898000     -0.2346000    
 C    3.533200     -0.4964000     -2.0199999E-02
 C    1.030100     -0.6467000     -0.3394000    
 C    4.731200      0.4414000      0.1195000    
 C  -0.2680000      0.1122000     -0.5861000    
 C   -2.580100     -0.3322000     -0.2505000    
 C   -2.885500       1.015800     -0.3963000    
 C   -3.501800      -1.212800      0.3031000    
 C   -4.130400       1.490100      1.7000001E-02
 C   -4.746900     -0.7388000      0.7164000    
 C   -5.061100      0.6127000      0.5734000    
 H    2.318200      0.8886000      -1.149900    
 H    2.086900      0.9878000      0.5977000    
 H   0.9334000      -1.240800      0.5782000    
 H    1.182400      -1.370900      -1.149400    
 H    3.690000      -1.178100     -0.8657000    
 H    3.439500      -1.115600      0.8809000    
 H    4.565300       1.111600      0.9731000    
 H    4.807700       1.061700     -0.7828000    
 H  -0.3912000      0.8260000      0.2390000    
 H  -0.2024000      0.6627000      -1.531900    
 H    5.884900     -0.9022000       1.140700    
 H   -2.201400       1.725900     -0.8508000    
 H   -3.260800      -2.265900      0.4164000    
 H    6.951300       1.080100       1.341200    
 H    7.910900      6.2700003E-02  0.5105000    
 H   -4.378200       2.541000     -0.1002000    
 H   -5.471700      -1.421900       1.149500    
 H   -6.031100      0.9815000      0.8938000    


%chk=000050865-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050865

0 1
O -1.349890 -0.758208 0.118965
N 6.102297 -0.345071 0.184482
N 7.298906 0.411252 0.031098
C 2.302517 0.335665 0.003593
C 3.626514 -0.451108 0.124774
C 1.060174 -0.579050 0.102525
C 4.867681 0.458833 0.034957
C -0.245778 0.209451 -0.016468
C -2.664691 -0.268636 0.058031
C -3.005365 1.094140 -0.136286
C -3.682830 -1.244380 0.208015
C -4.369664 1.467211 -0.177804
C -5.035812 -0.856046 0.164548
C -5.389869 0.502873 -0.028538
H 2.289339 0.880414 -0.963319
H 2.259306 1.108509 0.799517
H 1.063511 -1.118432 1.069256
H 1.090144 -1.346530 -0.694137
H 3.691009 -1.216029 -0.672866
H 3.633962 -0.999163 1.091813
H 4.787520 1.272555 0.800090
H 4.917549 0.951085 -0.952503
H -0.321570 0.975443 0.784347
H -0.314537 0.719506 -1.000619
H 6.077468 -0.919793 1.044814
H -2.232594 1.859360 -0.254822
H -3.390164 -2.288461 0.356751
H 7.648533 0.935418 0.843262
H 8.010359 -0.063679 -0.524574
H -4.630007 2.521224 -0.328728
H -5.817293 -1.615316 0.281882
H -6.442925 0.801263 -0.061758


