%chk=000043716.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043716

0 1
 O   -2.949100     -0.4004000      0.1779000    
 O    3.100500      -1.948000      0.1398000    
 O   -2.069400     -0.7230000      -1.933600    
 C  -0.5797000     -3.2499999E-02  0.3454000    
 C   0.5270000      0.6878000     -0.1330000    
 C    1.787800      4.9400002E-02 -0.2093000    
 C   -1.941100      0.5818000      0.4519000    
 C    1.904700      -1.290500      0.1949000    
 C  -0.4452000      -1.363000      0.7428000    
 C   0.4101000       2.027700     -0.5372000    
 C   0.7946000      -1.990900      0.6677000    
 C    2.894500      0.7696000     -0.6876000    
 C    1.520300       2.728000      -1.009800    
 C   -2.211200       1.172100       1.814500    
 C    2.760100       2.100200      -1.084900    
 C   -2.887900     -0.9696000      -1.058300    
 C   -2.549900       2.449600       2.023500    
 C    3.928500      -1.878300       1.297100    
 C   -3.994600      -1.969900      -1.201800    
 H   -2.101000       1.351400     -0.3106000    
 H   -1.281200      -1.932700       1.140000    
 H  -0.5206000       2.582500     -0.4910000    
 H   0.8913000      -3.026200      0.9837000    
 H    3.877300      0.3106000     -0.7660000    
 H    1.417900       3.765000      -1.316400    
 H   -2.143000      0.5095000       2.674400    
 H    3.623700       2.646100      -1.453600    
 H   -2.739900       2.809600       3.028700    
 H   -2.643000       3.153900       1.204400    
 H    4.872900      -2.381900       1.073300    
 H    3.450600      -2.391600       2.137500    
 H    4.142800     -0.8398000       1.567800    
 H   -4.961400      -1.471400      -1.095400    
 H   -3.881900      -2.757000     -0.4520000    
 H   -3.944900      -2.425400      -2.195000    


%chk=000043716-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043716

0 1
O -2.615561 -0.851441 0.004151
O 3.741905 -1.292056 0.743366
O -4.068051 0.243798 -1.468242
C -0.308248 -0.072681 0.226104
C 0.781622 0.805702 -0.141104
C 2.148263 0.360681 0.044252
C -1.750576 0.387322 0.063649
C 2.389501 -0.949672 0.601089
C -0.018387 -1.327845 0.766685
C 0.575474 2.117348 -0.689138
C 1.321430 -1.779461 0.956700
C 3.234856 1.215950 -0.324210
C 1.651879 2.935117 -1.042746
C -2.241339 1.231333 1.227446
C 2.994066 2.482972 -0.860995
C -3.774373 -0.759564 -0.781195
C -2.913220 2.399257 1.078763
C 4.052122 -2.609712 1.300962
C -4.596164 -2.023969 -0.650282
H -1.908014 0.930990 -0.885377
H -0.845707 -1.991967 1.030842
H -0.443017 2.492969 -0.823937
H 1.489440 -2.775195 1.376151
H 4.254870 0.851803 -0.174847
H 1.465835 3.930785 -1.460523
H -2.013029 0.832986 2.225807
H 3.831279 3.131476 -1.141066
H -3.248898 2.980988 1.944418
H -3.157544 2.796296 0.086037
H 5.150454 -2.662179 1.321768
H 3.650119 -3.419570 0.661823
H 3.652447 -2.714285 2.328288
H -5.202120 -1.971144 0.272798
H -3.946293 -2.910197 -0.576722
H -5.275423 -2.114138 -1.510915


