%chk=000057112.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057112

0 1
 O  -0.4027000      -2.867300      0.5339000    
 O   -2.851700      -1.521100      0.2906000    
 O   -8.473900      0.9473000     -0.8957000    
 O   -7.728900       2.620400      0.4505000    
 C    7.057600       1.186300      8.9100003E-02
 C    5.765800      0.4576000     -6.4700000E-02
 C    2.057100      -1.634500     -0.5064000    
 C   0.8448000     -0.8663000      3.9799999E-02
 C    8.056100      0.8155000      -1.051200    
 C    7.828900      0.9119000       1.422800    
 C    6.844700       2.731400      4.3400001E-02
 C    3.363500     -0.8979000     -0.3512000    
 C    5.000200      0.6311000      -1.217700    
 C    5.323000     -0.3977000      0.9442000    
 C  -0.4893000      -1.604300     -0.1251000    
 C    3.791800     -5.0700001E-02  -1.361800    
 C    4.114700      -1.079600      0.8002000    
 C   -1.636300     -0.8078000      0.4910000    
 C   -3.995500     -0.7740000      0.1930000    
 C   -4.086700      0.4377000      0.8689000    
 C   -5.055400      -1.235200     -0.5799000    
 C   -5.252400       1.197700      0.7709000    
 C   -6.221000     -0.4754000     -0.6781000    
 C   -6.319500      0.7411000     -2.6000000E-03
 C   -7.534800       1.533600     -0.1038000    
 H    1.895100      -1.863400      -1.568100    
 H    2.138800      -2.609800     -9.3999999E-03
 H    1.018400     -0.6681000       1.106100    
 H   0.7803000      0.1116000     -0.4544000    
 H    8.250000     -0.2635000      -1.062900    
 H    9.016200       1.328700     -0.9231000    
 H    7.671000       1.092800      -2.038600    
 H    8.093900     -0.1471000       1.523000    
 H    7.237700       1.208400       2.297100    
 H    8.765600       1.481400       1.461700    
 H    7.789800       3.268600      0.1850000    
 H    6.427600       3.058700     -0.9153000    
 H    6.153600       3.052500      0.8317000    
 H  -0.6925000      -1.807000      -1.182200    
 H    5.320600       1.291200      -2.018600    
 H    5.877300     -0.5688000       1.860400    
 H    3.201400      9.2500001E-02  -2.262300    
 H    3.776400      -1.742000       1.591900    
 H   -1.481400     -0.6897000       1.570100    
 H   -1.659400      0.1773000      7.4999998E-03
 H  -0.2151000      -2.702800       1.473800    
 H   -3.291300      0.8151000       1.504300    
 H   -4.982300      -2.182300      -1.107100    
 H   -5.312100       2.139700       1.309900    
 H   -7.027400     -0.8684000      -1.290900    
 H   -9.289000       1.489700     -0.9578000    


%chk=000057112-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057112

0 1
O -0.482306 -2.609059 0.646160
O -2.861114 -1.203809 -0.351984
O -9.034740 0.393530 -0.067369
O -8.180407 2.415609 0.691540
C 7.307133 1.139936 0.229982
C 5.960185 0.402240 0.037600
C 2.093258 -1.614981 -0.607492
C 0.906137 -0.710111 -0.179760
C 8.276020 0.758392 -0.930142
C 7.991959 0.777462 1.572945
C 7.061276 2.679147 0.207439
C 3.440332 -0.940391 -0.397946
C 5.196223 0.618597 -1.142952
C 5.432288 -0.505298 0.990444
C -0.448872 -1.449711 -0.262197
C 3.966633 -0.035830 -1.356644
C 4.198504 -1.162968 0.776141
C -1.620752 -0.490352 -0.012323
C -4.076191 -0.542536 -0.168541
C -4.204318 0.793164 0.299801
C -5.231519 -1.303320 -0.491036
C -5.487714 1.353145 0.438910
C -6.504945 -0.734656 -0.348824
C -6.646821 0.602209 0.118661
C -7.969092 1.244589 0.285111
H 1.961866 -1.883369 -1.674425
H 2.035531 -2.556642 -0.030912
H 1.072934 -0.350635 0.857513
H 0.882390 0.190355 -0.825976
H 8.474332 -0.328986 -0.935009
H 9.240719 1.287256 -0.812314
H 7.858924 1.030222 -1.916275
H 8.226446 -0.301343 1.635293
H 7.362141 1.048597 2.440472
H 8.943755 1.332212 1.664270
H 8.019428 3.221157 0.318457
H 6.596466 3.003915 -0.740638
H 6.392465 2.982877 1.033551
H -0.573850 -1.908087 -1.259618
H 5.568190 1.305483 -1.912669
H 5.983805 -0.713807 1.912322
H 3.410345 0.149266 -2.284946
H 3.825041 -1.866906 1.531063
H -1.646903 -0.168815 1.051367
H -1.520606 0.409313 -0.653966
H -0.407853 -2.283470 1.580810
H -3.325580 1.394023 0.550413
H -5.097510 -2.329309 -0.845520
H -5.612763 2.380521 0.796722
H -7.400686 -1.311347 -0.594233
H -9.886884 0.887620 0.068624


