%chk=000097942.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097942

0 1
 O   0.1270000      -3.090200      0.7593000    
 O  -0.1420000      -2.387100      -1.378400    
 C    1.206800      5.7900000E-02 -0.1221000    
 C    1.290200       1.437900      0.5444000    
 C    2.506600     -0.7301000      8.8799998E-02
 C    2.511800       2.220800      6.8499997E-02
 C    3.726200      5.6400001E-02 -0.3862000    
 C   8.2999999E-03 -0.7262000      0.4092000    
 C    3.800800       1.430800      0.2717000    
 C   -1.313600     -5.5999998E-03  0.1882000    
 C  -1.4000000E-02  -2.126500     -0.1890000    
 C   -1.478700      0.7500000     -0.9548000    
 C   -2.308100     -0.1297000       1.137000    
 C   -2.690500       1.410400      -1.157600    
 C   -3.519900      0.5306000      0.9341000    
 C   -3.711000       1.300700     -0.2132000    
 H    1.131000      0.1968000      -1.208000    
 H    1.349200       1.319000       1.634400    
 H   0.4076000       2.052600      0.3468000    
 H    2.488700      -1.680100     -0.4567000    
 H    2.628700     -0.9742000       1.152000    
 H   0.1463000     -0.8371000       1.495300    
 H    2.574600       3.171100      0.6107000    
 H    2.396600       2.466300     -0.9944000    
 H    3.683200      0.1749000      -1.475900    
 H    4.638600     -0.5081000     -0.1626000    
 H    4.646600       1.992100     -0.1410000    
 H    3.990000       1.311200       1.345700    
 H  -0.7292000      0.8385000      -1.731600    
 H   -2.168800     -0.7289000       2.031700    
 H   -2.842700       2.004000      -2.054400    
 H   -4.315100      0.4444000       1.668800    
 H   0.1132000      -3.990300      0.3697000    
 H   -4.655300       1.813200     -0.3720000    


%chk=000097942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097942

0 1
O -0.239893 -3.204513 0.396652
O 0.137511 -2.248436 -1.681901
C 1.268454 0.060877 -0.106033
C 1.309897 1.410191 0.655087
C 2.599243 -0.710054 0.098985
C 2.529759 2.263856 0.234270
C 3.821987 0.139029 -0.322546
C 0.039411 -0.799417 0.336392
C 3.856834 1.492291 0.425352
C -1.303179 -0.076322 0.146304
C -0.001827 -2.108447 -0.446063
C -1.752853 0.291228 -1.148637
C -2.102624 0.250634 1.268805
C -2.973477 0.982238 -1.311448
C -3.324590 0.942906 1.106847
C -3.763068 1.313321 -0.184943
H 1.156692 0.269388 -1.190898
H 1.364995 1.207608 1.746618
H 0.374552 1.974135 0.481837
H 2.587117 -1.654285 -0.479035
H 2.696527 -0.985048 1.171056
H 0.151716 -1.059011 1.405075
H 2.545841 3.206741 0.814785
H 2.423582 2.547766 -0.833388
H 3.774242 0.326671 -1.415207
H 4.755384 -0.427184 -0.137053
H 4.710735 2.103511 0.073927
H 4.018200 1.307153 1.507976
H -1.155287 0.020360 -2.026754
H -1.767667 -0.037435 2.272584
H -3.311491 1.258974 -2.316574
H -3.931777 1.190003 1.985050
H -0.301357 -4.031968 -0.155441
H -4.710489 1.848738 -0.313285


