%chk=000044546.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044546

1 1
 O   -3.220700      0.9885000      0.4165000    
 N    3.315500     -0.3030000     -5.8200002E-02
 C    1.999400      0.2563000     -0.4465000    
 C    4.461000      0.5298000     -0.6520000    
 C   0.8671000     -0.5348000      0.1967000    
 C    3.477200     -0.3126000       1.469000    
 C    3.466700      -1.746100     -0.5612000    
 C  -0.5256000     -1.4900000E-02 -0.1717000    
 C    4.386800       1.939400     -0.1072000    
 C   -1.619700     -0.7974000      0.5622000    
 C   -2.996100     -0.3135000      0.1810000    
 C   -4.057800     -0.9480000     -0.3583000    
 C   -5.056000      4.8200000E-02 -0.4775000    
 C   -4.497800       1.208100      7.1000000E-03
 H    1.923600      0.2394000      -1.540200    
 H    1.920500       1.291600     -0.1050000    
 H    5.407700      5.0999999E-02 -0.3775000    
 H    4.352600      0.5145000      -1.742100    
 H   0.9001000      -1.587100     -0.1018000    
 H   0.9414000     -0.5044000       1.289000    
 H    2.923700      -1.161100       1.882500    
 H    3.087900      0.6201000       1.886200    
 H    4.537900     -0.4401000       1.707600    
 H    3.243200      -1.762400      -1.631900    
 H    2.798600      -2.408800     -7.1000000E-03
 H    4.500700      -2.060000     -0.3864000    
 H  -0.5930000       1.050700      8.1000000E-02
 H  -0.6718000     -9.3300000E-02  -1.256400    
 H    5.252100       2.496900     -0.4868000    
 H    3.512100       2.494900     -0.4538000    
 H    4.449100       2.003500      0.9813000    
 H   -1.535300      -1.865700      0.3291000    
 H   -1.498400     -0.6907000       1.646800    
 H   -4.130500      -1.989000     -0.6382000    
 H   -6.057000     -6.4900003E-02 -0.8679000    
 H   -4.858200       2.219900      0.1227000    


%chk=000044546-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044546

1 1
O -3.243243 0.992384 0.495861
N 3.406159 -0.322766 0.041771
C 1.956821 0.102344 -0.325497
C 4.418185 0.616018 -0.683389
C 0.827784 -0.747778 0.277689
C 3.622629 -0.263892 1.550158
C 3.677644 -1.744207 -0.445982
C -0.541968 -0.173524 -0.171315
C 4.380253 2.088452 -0.262710
C -1.730003 -0.962123 0.444514
C -3.059146 -0.358090 0.106340
C -4.214269 -0.816769 -0.503789
C -5.169391 0.275851 -0.502882
C -4.551204 1.350502 0.107178
H 1.911912 0.081862 -1.429678
H 1.854193 1.148792 0.006641
H 5.414990 0.183175 -0.486827
H 4.201902 0.508628 -1.760927
H 0.895497 -1.802997 -0.048058
H 0.866321 -0.732912 1.383641
H 3.041341 -1.062454 2.032120
H 3.292987 0.712608 1.931835
H 4.693366 -0.407737 1.763109
H 3.515772 -1.789022 -1.534008
H 2.999682 -2.444888 0.060264
H 4.720780 -2.008776 -0.212983
H -0.629361 0.885591 0.137282
H -0.623204 -0.196762 -1.275578
H 5.161379 2.615637 -0.838886
H 3.425541 2.586966 -0.496707
H 4.617559 2.239149 0.803264
H -1.724444 -2.007377 0.084777
H -1.602160 -0.999707 1.546346
H -4.375326 -1.816645 -0.902945
H -6.181390 0.257591 -0.901690
H -4.850590 2.367875 0.342061


