%chk=000051878.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051878

0 1
 I    4.993800      -3.051200     -0.6442000    
 I   -4.983100      -3.051200      0.6479000    
 I    4.991000       3.050600     -0.6362000    
 I   -4.980200       3.050600      0.6399000    
 I    9.894700      3.0000001E-04  0.9717000    
 I   -9.883900      3.0000001E-04 -0.9684000    
 O    3.974100      3.9999999E-04 -0.9795000    
 O   -3.963300      3.9999999E-04  0.9833000    
 O    3.297400      1.9999999E-04   1.244400    
 O   -3.317100      1.9999999E-04  -1.250600    
 N    1.738300      6.0000003E-04 -0.4804000    
 N   -1.756600      5.0000002E-04  0.4732000    
 C    5.271800      1.9999999E-04 -0.5528000    
 C   -5.291600      3.0000001E-04  0.5464000    
 C    5.933900      -1.208000     -0.3351000    
 C   -5.923100      -1.208000      0.3387000    
 C    5.934400       1.208000     -0.3338000    
 C   -5.923500       1.208000      0.3374000    
 C    7.258700      -1.208500      0.1014000    
 C   -7.247800      -1.208500     -9.7900003E-02
 C    7.259100       1.207400      0.1028000    
 C   -7.248300       1.207400     -9.9299997E-02
 C    7.921400     -8.9999998E-04  0.3204000    
 C   -7.910500     -8.9999998E-04 -0.3169000    
 C    3.014300      3.9999999E-04  4.9500000E-02
 C   -3.034000      3.9999999E-04 -5.5700000E-02
 C   0.6000000      5.0000002E-04  0.2689000    
 C  -0.6197000      6.0000003E-04 -0.2750000    
 H    7.777700      -2.149400      0.2722000    
 H   -7.766800      -2.149400     -0.2689000    
 H    7.778000       2.148000      0.2753000    
 H   -7.767200       2.148000     -0.2718000    
 H    1.644200      6.9999998E-04  -1.492500    
 H   -1.662600      6.0000003E-04   1.485300    
 H   0.7337000      3.0000001E-04   1.346000    
 H  -0.7529000      6.9999998E-04  -1.352100    


%chk=000051878-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051878

0 1
I 5.415774 -3.122388 -0.455600
I -5.419476 -3.121598 0.470208
I 4.715625 2.993253 -0.568564
I -4.713179 2.993917 0.551705
I 10.200352 0.552409 0.697868
I -10.201757 0.552208 -0.696164
O 4.051929 -0.186285 -0.809187
O -4.052597 -0.185804 0.808292
O 3.275871 -0.181279 1.448073
O -3.276880 -0.185110 -1.449083
N 1.825189 -0.299433 -0.410479
N -1.825880 -0.299091 0.409534
C 5.393326 -0.026356 -0.411651
C -5.394120 -0.025865 0.411141
C 6.228064 -1.155913 -0.231167
C -6.230261 -1.155456 0.237337
C 5.949075 1.269129 -0.273132
C -5.948595 1.269469 0.266347
C 7.595717 -1.004579 0.086868
C -7.598103 -1.004330 -0.079968
C 7.312686 1.443358 0.046741
C -7.312335 1.443476 -0.053099
C 8.120791 0.299051 0.223420
C -8.121910 0.299146 -0.222768
C 3.044481 -0.220339 0.224809
C -3.045312 -0.221644 -0.225752
C 0.608540 -0.309056 0.303117
C -0.609278 -0.309805 -0.304122
H 8.229914 -1.882911 0.222855
H -8.233345 -1.882693 -0.210764
H 7.729363 2.446689 0.152174
H -7.728018 2.446689 -0.163460
H 1.830991 -0.311501 -1.432695
H -1.831558 -0.309140 1.431774
H 0.737753 -0.302843 1.389836
H -0.738535 -0.305777 -1.390846


