%chk=000014398.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014398

0 1
 I   -2.258500       2.954900     -0.2608000    
 I   0.9915000      -1.001600       3.182400    
 I   0.9740000      -1.601400      -2.891300    
 O   7.7699997E-02  -1.876700      0.2053000    
 O   -5.158600       1.684100      0.8000000    
 O    5.244000       1.279000      -1.383800    
 O    5.412900       1.607100      0.8590000    
 C   -1.104300      -1.204700      0.1427000    
 C    1.244600      -1.134900      0.1284000    
 C   -3.527700      0.1713000      1.5500000E-02
 C   -1.111600      0.1836000      6.3000000E-03
 C   -2.308600      -1.904700      0.2155000    
 C   -2.323500      0.8716000     -5.7300001E-02
 C   -3.520300      -1.216800      0.1520000    
 C    1.820000     -0.6529000       1.293100    
 C    1.813600     -0.8910000      -1.111100    
 C    3.580900      0.3472000     -2.4499999E-02
 C    2.996100      9.3300000E-02   1.216000    
 C    2.989600     -0.1448000      -1.188100    
 C   -4.827200      0.8306000     -4.3900002E-02
 C   -5.811800      0.4814000      -1.151700    
 C    4.807200       1.125300     -0.1038000    
 H  -0.2033000      0.7739000     -5.4699998E-02
 H   -2.308600      -2.986000      0.3230000    
 H   -4.449100      -1.778300      0.2149000    
 H    3.459800      0.4786000       2.121600    
 H    3.429900      4.2900000E-02  -2.164200    
 H   -6.651700     -7.3100001E-02 -0.7259000    
 H   -5.329800     -0.1281000      -1.921200    
 H   -6.164900       1.404300      -1.619700    
 H    6.071400       1.804400      -1.426500    


%chk=000014398-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014398

0 1
I -2.404342 3.267821 -0.350263
I 0.839771 -0.948249 3.078804
I 1.133529 -1.307852 -3.067158
O 0.054181 -1.624795 -0.013644
O -5.287840 2.186362 -0.501367
O 5.778759 1.039092 -1.118950
O 5.770468 1.224734 1.198413
C -1.167712 -0.916118 -0.108584
C 1.279467 -0.935689 0.007644
C -3.709568 0.352304 -0.309910
C -1.241669 0.490573 -0.169307
C -2.331612 -1.711305 -0.142380
C -2.503846 1.116232 -0.269706
C -3.572494 -1.069428 -0.241290
C 1.873427 -0.570196 1.245714
C 1.992697 -0.714271 -1.200780
C 3.844201 0.247366 0.061440
C 3.148795 0.022043 1.275142
C 3.270180 -0.123310 -1.179382
C -5.091509 0.941017 -0.420883
C -6.291607 -0.009617 -0.437929
C 5.194492 0.874040 0.142605
H -0.330575 1.094030 -0.138286
H -2.243665 -2.799623 -0.094188
H -4.473199 -1.687613 -0.269044
H 3.623323 0.311663 2.216665
H 3.827696 0.050302 -2.101878
H -6.342083 -0.621951 0.481242
H -6.254317 -0.698055 -1.302433
H -7.205052 0.599421 -0.509824
H 6.673803 1.459574 -1.013286


