%chk=000042617.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042617

0 1
 O  -0.5983000       1.057300      0.9895000    
 O    2.728300       1.149100      -1.524600    
 O   0.6612000      -2.957200     -0.8660000    
 O   0.4364000      -2.313000       1.309000    
 O   -3.964900       1.093800     -0.9074000    
 N    1.422600      0.1365000      0.1606000    
 C   0.8386000       1.022600       1.170800    
 C   0.3967000     -0.6647000     -0.4520000    
 C    1.701400       2.153900      0.5837000    
 C    2.124000       1.120700     -0.4765000    
 C  -0.8449000      2.7400000E-02  6.1200000E-02
 C   0.4947000      -2.041000      0.1190000    
 C   -2.091200     -0.2406000     -0.3438000    
 C   -3.304800      0.4553000      0.1765000    
 H    1.107300      0.7279000       2.191500    
 H   0.4741000     -0.6323000      -1.542700    
 H    2.519700       2.499100       1.220400    
 H    1.149600       3.005100      0.1776000    
 H   -2.250100      -1.024800      -1.080100    
 H   -3.079000       1.217000      0.9276000    
 H   -3.992300     -0.2673000      0.6274000    
 H   0.7287000      -3.869100     -0.5107000    
 H   -4.243200      0.4043000      -1.534500    


%chk=000042617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042617

0 1
O -0.512214 0.956938 0.996819
O 2.567508 1.514964 -1.683782
O 0.136465 -3.082026 -0.727197
O 1.069718 -2.409034 1.300360
O -3.923675 1.224248 -0.950710
N 1.518438 0.193556 0.087678
C 0.963912 0.996263 1.211350
C 0.505509 -0.730520 -0.439343
C 1.676409 2.263131 0.652349
C 2.053942 1.366179 -0.568017
C -0.811385 -0.050897 0.037939
C 0.632645 -2.130320 0.168240
C -2.075706 -0.334516 -0.356410
C -3.308508 0.398596 0.115886
H 1.171134 0.642471 2.229391
H 0.554106 -0.795162 -1.537286
H 2.523877 2.646841 1.240994
H 0.985940 3.080830 0.394310
H -2.202780 -1.139453 -1.091778
H -3.053996 1.119675 0.906017
H -4.056132 -0.320631 0.512716
H 0.170797 -3.987225 -0.313601
H -4.171405 0.636092 -1.709422


