%chk=000045458.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045458

0 1
 O   -5.346000     -0.5882000      0.3398000    
 O    5.334200      -1.062300     -2.6200000E-02
 O    2.268400      0.5544000     -9.3199998E-02
 C   -4.024400     -0.1925000      0.6565000    
 C   -4.360200      -1.620500      0.4723000    
 C    4.200200     -0.6155000      0.7028000    
 C   -3.359300      0.5604000     -0.4930000    
 C    5.252500      0.3379000      0.2694000    
 C    2.918800     -0.7155000     -9.7099997E-02
 C   -1.872000      0.5586000     -0.3873000    
 C   -1.220900       1.579300      0.3054000    
 C   -1.131900     -0.4638000     -0.9812000    
 C   0.9108000      0.5554000     -0.1898000    
 C   0.1704000       1.577700      0.4041000    
 C   0.2596000     -0.4655000     -0.8825000    
 H   -3.827200      0.2024000       1.641800    
 H    4.105100     -0.8611000       1.749700    
 H   -4.046200      -2.130300     -0.4291000    
 H   -4.414400      -2.251300       1.350200    
 H   -3.732700       1.592500     -0.4896000    
 H   -3.665000      0.1428000      -1.461700    
 H    5.052700       1.010600     -0.5544000    
 H    5.929200      0.7290000       1.018100    
 H    2.307500      -1.492900      0.3781000    
 H    3.129100      -1.003900      -1.134000    
 H   -1.786000       2.380600      0.7742000    
 H   -1.627200      -1.261700      -1.528000    
 H   0.6723000       2.375100      0.9454000    
 H   0.7991000      -1.264800      -1.381500    


%chk=000045458-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045458

0 1
O -5.672135 -0.388579 0.152735
O 5.571608 -1.154325 -0.083109
O 2.226627 0.412816 0.595724
C -4.216810 -0.110144 0.458902
C -4.695848 -1.524684 0.362572
C 4.472143 -0.407157 0.634459
C -3.410587 0.548893 -0.656096
C 5.503809 0.357796 -0.131695
C 3.094406 -0.648438 0.059154
C -1.914483 0.500054 -0.370813
C -1.310552 1.450810 0.496633
C -1.091168 -0.508350 -0.924392
C 0.866793 0.376925 0.235491
C 0.061761 1.396466 0.800449
C 0.290983 -0.581173 -0.633946
H -4.060120 0.307017 1.464016
H 4.543548 -0.439533 1.728622
H -4.468051 -2.104222 -0.541836
H -4.857556 -2.111018 1.275459
H -3.750778 1.597547 -0.754684
H -3.648851 0.042459 -1.609137
H 5.240893 0.773588 -1.112287
H 6.306196 0.871173 0.410352
H 2.713409 -1.643303 0.368075
H 3.128834 -0.606523 -1.048082
H -1.922280 2.251271 0.930863
H -1.530450 -1.250441 -1.602347
H 0.530543 2.129794 1.463856
H 0.894616 -1.371820 -1.089737


