%chk=000086095.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086095

0 1
 O   -1.661100      0.2311000     -5.7999999E-03
 O   -2.977800      -1.667800      3.3000000E-03
 C    3.249200      0.4978000      4.6799999E-02
 C    2.037300     -0.4356000      9.4999997E-03
 C    4.589100     -0.2438000      4.2700000E-02
 C   0.7302000      0.3557000     -8.5000005E-03
 C    5.800300      0.6891000      5.5000000E-03
 C  -0.4831000     -0.5634000     -3.5000001E-03
 C    7.101600     -9.5200002E-02 -6.9899999E-02
 C   -2.841400     -0.4546000     -1.9000000E-03
 C   -3.943200      0.5317000     -5.9000002E-03
 C   -5.215400      0.1133000     -4.0000002E-03
 C   -6.385600       1.041600     -8.2000000E-03
 H    3.210900       1.169400     -0.8200000    
 H    3.194200       1.131600      0.9406000    
 H    2.092800      -1.075100     -0.8796000    
 H    2.059400      -1.095400      0.8852000    
 H    4.649100     -0.8838000      0.9317000    
 H    4.622400     -0.9098000     -0.8287000    
 H   0.6912000       1.005900     -0.8913000    
 H   0.6799000       1.025100      0.8594000    
 H    5.807500       1.322700      0.8997000    
 H    5.731000       1.353600     -0.8634000    
 H  -0.4723000      -1.203600     -0.8935000    
 H  -0.4718000      -1.195200      0.8926000    
 H    7.214900     -0.7512000      0.7991000    
 H    7.955400      0.5894000     -9.2600003E-02
 H    7.136700     -0.7118000     -0.9737000    
 H   -3.694500       1.587400     -1.0600000E-02
 H   -5.448700     -0.9481000      6.0000003E-04
 H   -7.001300      0.8607000     -0.8946000    
 H   -6.081500       2.093100     -1.2900000E-02
 H   -7.001400      0.8686000      0.8797000    


%chk=000086095-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086095

0 1
O -1.691482 0.287027 0.001209
O -2.991725 -1.656843 -0.002611
C 3.308911 0.513089 -0.004613
C 2.071051 -0.411820 -0.005677
C 4.646838 -0.259892 -0.008279
C 0.737833 0.372076 -0.001855
C 5.885465 0.664937 -0.005616
C -0.469201 -0.565705 -0.002104
C 7.218851 -0.113454 -0.008265
C -2.915479 -0.400569 0.000706
C -4.039708 0.562334 0.004129
C -5.332422 0.132577 0.004048
C -6.545042 1.022841 0.007376
H 3.268565 1.180391 -0.890706
H 3.270758 1.175598 0.885193
H 2.110724 -1.073850 -0.895762
H 2.112995 -1.078883 0.880545
H 4.688218 -0.928370 0.877183
H 4.687172 -0.921852 -0.898642
H 0.686577 1.031382 -0.889739
H 0.689402 1.027473 0.889076
H 5.843586 1.326609 0.883706
H 5.843365 1.332143 -0.890771
H -0.494947 -1.214871 -0.897611
H -0.492612 -1.218347 0.890945
H 7.298371 -0.765818 0.881877
H 8.087721 0.570099 -0.004974
H 7.299320 -0.758431 -0.903673
H -3.777384 1.625557 0.006710
H -5.500196 -0.955214 0.001317
H -7.178406 0.822712 -0.878999
H -6.276022 2.092593 0.010092
H -7.177100 0.817881 0.893583


