%chk=000168782.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168782

0 1
 O    3.157500      -1.393900      0.2007000    
 O   0.8621000      -2.768100      0.4323000    
 O   -2.499500       2.007100     -0.2760000    
 C    1.890500      0.6995000      0.1201000    
 C    2.547300       1.084300       1.443500    
 C    3.154900       1.540100      0.1522000    
 C    2.000500     -0.7656000     -0.3500000    
 C   0.5337000       1.338600     -0.1072000    
 C  -0.5698000      0.5694000     -3.6800001E-02
 C   0.7913000      -1.582000      0.1234000    
 C  -0.4990000     -0.8566000      0.1418000    
 C    2.104700     -0.8440000      -1.877200    
 C   0.4907000       2.815500     -0.3997000    
 C   -2.842000     -0.3843000      9.0300001E-02
 C   -2.024900      0.8959000     -0.1071000    
 C   -1.719700      -1.398300      0.2173000    
 C   -3.670500     -0.3003000       1.368100    
 C   -3.707800     -0.6572000      -1.135800    
 H    3.077400      0.3323000       2.015200    
 H    2.078200       1.836900       2.067800    
 H    3.121200       2.599400     -6.7699999E-02
 H    4.090900       1.082900     -0.1502000    
 H    3.012100     -0.3416000      -2.231000    
 H    2.169000      -1.885700      -2.212900    
 H    1.245300     -0.3853000      -2.377200    
 H   0.8224000       3.390300      0.4707000    
 H  -0.5010000       3.179300     -0.6721000    
 H    1.144000       3.050500      -1.246900    
 H   -1.908200      -2.459400      0.3198000    
 H    3.240400      -2.278600     -0.1942000    
 H   -3.047400     -6.1400000E-02   2.238300    
 H   -4.430300      0.4859000       1.292400    
 H   -4.183100      -1.246900       1.572500    
 H   -3.111200     -0.6734000      -2.055700    
 H   -4.222200      -1.621200      -1.052700    
 H   -4.468600      0.1218000      -1.260600    


%chk=000168782-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168782

0 1
O 3.263933 -1.348609 0.115523
O 1.043998 -2.749077 0.656700
O -2.525274 2.014249 -0.368616
C 1.912781 0.717842 0.111280
C 2.704179 1.126396 1.394259
C 3.206092 1.549556 0.022235
C 2.018145 -0.757075 -0.357405
C 0.570918 1.360028 -0.080261
C -0.543396 0.538525 -0.101954
C 0.832188 -1.589594 0.186736
C -0.475866 -0.925948 0.091995
C 1.990728 -0.833336 -1.910929
C 0.466685 2.861378 -0.197897
C -2.812959 -0.432841 0.016696
C -1.990919 0.883989 -0.185725
C -1.728799 -1.483700 0.168779
C -3.678492 -0.300004 1.303801
C -3.724931 -0.687874 -1.215461
H 3.236879 0.310434 1.887884
H 2.248677 1.873527 2.050164
H 3.132954 2.601370 -0.266160
H 4.084802 1.020661 -0.357370
H 2.879085 -0.305636 -2.297744
H 2.039781 -1.885920 -2.239078
H 1.085831 -0.363791 -2.334237
H 1.018528 3.369063 0.616106
H -0.583597 3.188822 -0.184070
H 0.922880 3.204226 -1.147619
H -1.929385 -2.550228 0.306648
H 3.024731 -2.252596 0.473828
H -3.051650 -0.151813 2.200943
H -4.350917 0.570371 1.200621
H -4.290346 -1.208024 1.452602
H -3.132468 -0.823339 -2.137723
H -4.340036 -1.592845 -1.060537
H -4.395859 0.177715 -1.358613


