%chk=000065444.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065444

0 1
 I  -0.3560000      -2.058100       1.496300    
 I    1.567600       3.584000      0.1731000    
 I   -4.308300       2.103800     -0.5806000    
 O    4.756000       1.102000      -1.182000    
 O    1.995400      0.6333000       2.304300    
 O    3.614000      -1.777500      -1.674000    
 O   -1.436800       3.977900      -1.897900    
 O   -4.490900      -3.855900     -0.5104000    
 O   -1.910900       4.804700      0.1658000    
 O   -2.379700      -2.386200     -0.9330000    
 N    2.445600     -5.2000001E-02  0.1346000    
 N   -3.094200     -0.6723000      0.5152000    
 N    4.953100      -2.584900      4.1000001E-02
 C    3.797700     -0.4874000      0.3708000    
 C   0.2649000      0.8573000      0.7379000    
 C    4.800900      0.6429000      0.1643000    
 C    1.645400      0.4802000       1.137000    
 C   -2.060100      0.2722000      0.4399000    
 C  -0.7635000     -8.1900001E-02  0.8128000    
 C  -3.1999999E-03   2.150800      0.2899000    
 C    4.082000      -1.675400     -0.5418000    
 C   -1.299900       2.505000     -8.2999997E-02
 C   -2.328300       1.565700     -8.0000004E-03
 C   -1.581500       3.862500     -0.5529000    
 C   -3.186800      -1.898200     -0.1477000    
 C    5.411500      -3.774600     -0.6380000    
 C   -4.463200      -2.633900      0.1976000    
 C   -5.670700      -4.603800     -0.2315000    
 H    3.863000     -0.8205000       1.414000    
 H    2.068700     -0.1272000     -0.8065000    
 H    4.579400       1.488800      0.8232000    
 H    5.819300      0.2961000      0.3684000    
 H   -3.993000     -0.2791000      0.7893000    
 H    5.280100      -2.429400      0.9898000    
 H    5.410700       1.816600      -1.261400    
 H    4.794600      -4.614800     -0.3097000    
 H    6.451800      -3.953100     -0.3563000    
 H    5.332400      -3.661300      -1.722000    
 H   -4.482300      -2.819800       1.277300    
 H   -5.319200      -2.012700     -8.8799998E-02
 H   -1.625700       4.888800      -2.209400    
 H   -5.632100      -5.533100     -0.8059000    
 H   -6.559400      -4.041300     -0.5332000    
 H   -5.723100      -4.851000      0.8332000    


%chk=000065444-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065444

0 1
I -0.577678 -1.997854 2.041712
I 1.729160 3.183294 -0.360372
I -4.027381 1.462481 -1.700808
O 4.934088 1.022722 -0.025025
O 1.834868 0.900108 2.489950
O 4.241539 -3.195583 0.988762
O -0.958832 3.165815 -2.911356
O -5.300127 -2.289309 0.389436
O -1.748234 4.399125 -1.101817
O -2.028935 -2.755621 -1.111098
N 2.503156 -0.432863 0.697527
N -3.072978 -1.042648 0.121923
N 5.039506 -1.700908 -0.631826
C 3.811554 -0.791676 1.299186
C 0.294822 0.598072 0.614822
C 4.747049 0.446949 1.324990
C 1.599158 0.365994 1.366555
C -2.018138 -0.095820 0.058225
C -0.784567 -0.312984 0.735028
C 0.111837 1.767447 -0.159910
C 4.391981 -2.016183 0.545148
C -1.117343 2.045929 -0.803377
C -2.166034 1.101548 -0.695252
C -1.319203 3.327892 -1.574190
C -3.015243 -2.300366 -0.472564
C 5.654593 -2.724471 -1.484172
C -4.293199 -3.120551 -0.268605
C -6.526766 -3.014605 0.723627
H 3.642496 -1.115151 2.342741
H 2.208804 -0.909967 -0.158784
H 4.332282 1.205462 2.011832
H 5.753697 0.153940 1.663325
H -3.990337 -0.795269 0.519753
H 5.160949 -0.694584 -0.837997
H 4.101108 1.504679 -0.274731
H 6.753136 -2.603787 -1.523036
H 5.255926 -2.673041 -2.513764
H 5.420262 -3.712201 -1.055858
H -4.643485 -3.473515 -1.260098
H -4.038131 -4.007526 0.350470
H -1.103834 4.020903 -3.403095
H -7.190482 -2.286719 1.214104
H -6.316946 -3.853057 1.418865
H -7.018792 -3.408903 -0.188543


