%chk=000022069.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022069

0 1
 I  -0.5796000      -2.061800      -3.037200    
 I    6.344900     -0.6742000       1.371600    
 I    2.522400       3.425100      -1.045400    
 O    1.403300      -1.814100     -0.4543000    
 O   -3.572400       1.678700      -1.147900    
 O   -5.765100       1.169600     -0.8690000    
 O    5.167700       2.146200      0.3095000    
 N   -5.377300       1.166200       1.847800    
 C   -3.887800     -0.6423000       1.122700    
 C   -4.232400      0.8499000      0.9968000    
 C   -2.475000     -0.9575000      0.6881000    
 C   -2.228500      -1.283900     -0.6350000    
 C   -1.454500     -0.9140000       1.623500    
 C   0.1150000      -1.536000     -0.1048000    
 C  -0.9242000      -1.575300      -1.034400    
 C  -0.1502000      -1.205500       1.224100    
 C   -4.627200       1.227500     -0.4206000    
 C    2.347900     -0.8212000     -0.2633000    
 C    2.052300      0.4744000     -0.6491000    
 C    3.564700      -1.147400      0.3098000    
 C    4.516200     -0.1459000      0.5029000    
 C    3.003900       1.475900     -0.4560000    
 C    4.235800       1.165700      0.1200000    
 H   -4.593400      -1.255300      0.5451000    
 H   -4.000100     -0.9740000       2.164600    
 H   -3.399900       1.489000       1.313000    
 H   -3.047700      -1.313500      -1.349100    
 H   -1.651100     -0.6576000       2.660500    
 H   0.6440000      -1.180800       1.965800    
 H   -5.143000      0.9721000       2.821000    
 H   -6.157400      0.5492000       1.622200    
 H    1.100700      0.7164000      -1.114200    
 H    3.761400      -2.176000      0.6009000    
 H   -3.837300       1.932400      -2.057700    
 H    5.955500       1.748200      0.7184000    


%chk=000022069-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022069

0 1
I -0.712722 -2.535161 -2.823860
I 6.719874 -1.329524 0.398797
I 3.262290 3.753905 0.007284
O 1.341200 -1.424205 -0.637075
O -3.696213 1.803116 -0.915709
O -5.468531 0.342656 -1.259601
O 5.798772 1.870552 0.391791
N -6.016410 0.895456 1.522765
C -4.038224 -0.716338 1.340382
C -4.646638 0.712234 1.034386
C -2.615969 -0.907808 0.846667
C -2.366501 -1.500231 -0.418493
C -1.507812 -0.465323 1.612479
C 0.044147 -1.180003 -0.136343
C -1.051568 -1.633050 -0.909515
C -0.190772 -0.601452 1.133859
C -4.676615 0.918042 -0.478710
C 2.420726 -0.570121 -0.308368
C 2.297665 0.838174 -0.279555
C 3.670283 -1.194002 -0.118365
C 4.800691 -0.387954 0.109139
C 3.440414 1.622789 -0.040408
C 4.717868 1.031260 0.160851
H -4.718448 -1.463300 0.890250
H -4.084830 -0.840837 2.439321
H -3.990497 1.480908 1.476632
H -3.207032 -1.857258 -1.022964
H -1.672747 -0.020889 2.601024
H 0.658397 -0.276359 1.743277
H -6.127705 0.873388 2.538166
H -6.722728 0.361543 1.008443
H 1.328237 1.311619 -0.453252
H 3.734190 -2.283145 -0.158383
H -3.728861 1.875689 -1.909598
H 6.637670 1.345827 0.504986


