%chk=000096539.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096539

0 1
 O   0.3867000      0.2959000     -1.4400000E-02
 O   -1.216700       2.478800     -9.3400002E-02
 O   -3.956400       2.218100      3.6100000E-02
 O   -5.101200     -0.2779000      0.2470000    
 O   -3.540900      -2.514400      0.3309000    
 O   -1.115800      -3.478600      0.2924000    
 O    6.702800      0.4047000     -0.2994000    
 C   -1.550000      -1.159500      0.1608000    
 C  -0.9699000      0.1034000      5.4099999E-02
 C   -1.777300       1.240200      1.1600000E-02
 C   -2.938600      -1.295900      0.2261000    
 C    1.214700     -0.8154000      3.1900000E-02
 C   -3.164700       1.108300      7.6700002E-02
 C   -3.743800     -0.1571000      0.1836000    
 C  -0.6751000      -2.341200      0.2017000    
 C   0.7767000      -2.080900      0.1268000    
 C    2.653800     -0.4953000     -5.5599999E-02
 C    3.538700      -1.397700     -0.6508000    
 C    3.136700      0.7112000      0.4572000    
 C    4.898000      -1.095400     -0.7326000    
 C    4.495900       1.013500      0.3753000    
 C    5.376600      0.1102000     -0.2197000    
 C  -0.8990000       3.150300       1.123400    
 C   -3.859800       3.039100      -1.125100    
 C   -5.795800     -0.4188000     -0.9897000    
 C    7.124600       1.654400      0.2450000    
 H    1.426400      -2.946900      0.1753000    
 H    3.202700      -2.337100      -1.081700    
 H    2.473000       1.429200      0.9334000    
 H    5.579000      -1.800600      -1.201300    
 H    4.800400       1.966100      0.7953000    
 H   -2.880900      -3.223800      0.3502000    
 H  -0.1649000       2.578200       1.699300    
 H   -1.801100       3.312600       1.721700    
 H  -0.4660000       4.122900      0.8743000    
 H   -3.521900       2.478800      -2.004100    
 H   -3.192900       3.884000     -0.9325000    
 H   -4.856000       3.437600      -1.338900    
 H   -5.640200      0.4598000      -1.623300    
 H   -6.864000     -0.5080000     -0.7740000    
 H   -5.469300      -1.321800      -1.515200    
 H    6.947800       1.703000       1.324900    
 H    6.673400       2.498300     -0.2879000    
 H    8.207000       1.723600      9.4899997E-02


%chk=000096539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096539

0 1
O 0.362898 0.284182 0.019387
O -1.172246 2.596896 0.092133
O -4.084851 2.313676 -0.064901
O -5.259341 -0.058635 -0.106578
O -3.660071 -2.484753 -0.138169
O -1.340611 -3.521790 -0.153228
O 6.750778 0.391015 0.088137
C -1.640763 -1.132321 -0.103198
C -1.037665 0.147568 -0.040926
C -1.800394 1.331938 0.002927
C -3.070145 -1.235866 -0.124303
C 1.181345 -0.854701 -0.015822
C -3.222693 1.224898 -0.080555
C -3.865386 -0.060151 -0.131274
C -0.805099 -2.331570 -0.112089
C 0.628040 -2.122132 -0.081450
C 2.610674 -0.508219 0.016110
C 3.607688 -1.509009 0.214043
C 3.032091 0.837880 -0.155972
C 4.967708 -1.176835 0.232618
C 4.396948 1.184536 -0.139524
C 5.372555 0.173235 0.054026
C -0.666957 2.912787 1.449265
C -3.690785 3.580480 -0.720218
C -5.971237 -0.958569 -1.043635
C 7.234095 1.765172 -0.094748
H 1.268563 -3.004219 -0.128072
H 3.319351 -2.553273 0.369365
H 2.277447 1.613200 -0.316174
H 5.737896 -1.937779 0.387763
H 4.686115 2.229571 -0.282695
H -2.875391 -3.179443 -0.145496
H 0.122881 2.198939 1.745928
H -1.491663 2.891529 2.186790
H -0.247261 3.928300 1.378342
H -3.163563 3.384914 -1.670297
H -3.043771 4.185716 -0.066691
H -4.647423 4.093054 -0.907209
H -5.706871 -0.706799 -2.088616
H -7.037074 -0.751253 -0.865621
H -5.730024 -2.012576 -0.836306
H 6.856687 2.431262 0.704419
H 6.941014 2.162779 -1.085065
H 8.329208 1.692269 -0.032118


