%chk=000054799.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054799

0 1
 O  -0.2885000     -0.5932000     -0.1352000    
 O    1.468900      -2.650700     -1.9000000E-03
 O   -1.750600       2.806700     -0.3139000    
 O    4.183900      -2.183100      4.3000001E-03
 O    5.144200      0.3951000     -0.1245000    
 O    3.425300       2.507200     -0.2596000    
 O   0.9480000       3.282800     -0.3270000    
 O   -5.249300     -0.7953000       2.174000    
 O   -6.522700      -1.355600     -0.2322000    
 C    1.535100       1.004700     -0.2004000    
 C    1.049700     -0.2985000     -0.1352000    
 C   -1.196800      0.4507000     -0.2114000    
 C    1.938400      -1.371900     -6.6299997E-02
 C    2.911400       1.245800     -0.1973000    
 C   0.5764000       2.117800     -0.2709000    
 C  -0.8620000       1.755400     -0.2683000    
 C    3.313200      -1.135600     -6.3199997E-02
 C    3.798600      0.1709000     -0.1285000    
 C   -2.590400     -2.1400001E-02 -0.2130000    
 C   -3.272600     -0.1884000      0.9925000    
 C   -3.230100     -0.3034000      -1.420500    
 C   -4.593600     -0.6369000      0.9905000    
 C   -4.550800     -0.7519000      -1.422500    
 C   -5.232600     -0.9185000     -0.2171000    
 C    1.260900      -3.326400      -1.239800    
 C   -2.075300       3.248800      0.9904000    
 C    4.094900      -3.025000       1.151300    
 C    5.766400      0.5699000       1.145900    
 H   -2.773800      2.3399999E-02   1.935900    
 H   -2.711400     -0.1791000      -2.368100    
 H   -5.043100     -0.9695000      -2.366500    
 H    2.716200       3.166300     -0.3016000    
 H   0.5119000      -2.803900      -1.843200    
 H   0.8937000      -4.333100      -1.022500    
 H    2.199600      -3.409700      -1.796700    
 H   -1.185400       3.593100       1.529100    
 H   -2.585500       2.477200       1.572600    
 H   -2.757400       4.099500      0.8980000    
 H    3.674600      -2.503600       2.018500    
 H    5.107200      -3.350700       1.408600    
 H    3.503400      -3.914600      0.9183000    
 H    6.833700      0.7434000      0.9833000    
 H    5.649000     -0.3274000       1.761200    
 H    5.347000       1.437400       1.665200    
 H   -4.652500     -0.5521000       2.902400    
 H   -6.837000      -1.412700      0.6870000    


%chk=000054799-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054799

0 1
O -0.358602 -0.543128 0.052669
O 1.263757 -2.742306 0.493687
O -1.689437 2.837348 -0.600085
O 4.171333 -2.275448 0.651188
O 5.222166 0.102557 0.200131
O 3.518764 2.390704 -0.311611
O 1.158764 3.281428 -0.573853
O -4.619513 -2.998983 0.957453
O -6.612708 -1.450309 0.021792
C 1.556657 0.966026 -0.072504
C 1.022432 -0.328981 0.121109
C -1.258605 0.521199 -0.139964
C 1.839484 -1.457890 0.336587
C 2.982518 1.142173 -0.061333
C 0.669844 2.089822 -0.340153
C -0.768756 1.820617 -0.332097
C 3.251113 -1.263691 0.419466
C 3.829048 0.037454 0.205599
C -2.648774 0.047217 -0.110245
C -2.914738 -1.256756 0.414709
C -3.740274 0.825255 -0.597007
C -4.226534 -1.737135 0.455570
C -5.056412 0.325385 -0.554605
C -5.313222 -0.954339 -0.027309
C 0.831391 -3.353263 -0.786996
C -1.545632 4.114702 0.149181
C 3.808824 -3.449040 1.474248
C 5.867939 1.208460 0.944563
H -2.083087 -1.863647 0.788816
H -3.543869 1.814173 -1.011490
H -5.896737 0.915498 -0.930645
H 2.707650 3.027409 -0.482907
H 0.022892 -2.757066 -1.247741
H 0.458037 -4.355620 -0.525089
H 1.684086 -3.436189 -1.487293
H -0.584198 4.589658 -0.096747
H -1.621946 3.925559 1.236241
H -2.394793 4.727118 -0.188965
H 3.191580 -3.152072 2.339443
H 4.779126 -3.848824 1.808240
H 3.263431 -4.200448 0.881712
H 6.946041 1.012699 0.844499
H 5.575187 1.173153 2.011569
H 5.598595 2.184178 0.511256
H -3.856308 -3.511245 1.316394
H -6.596313 -2.359516 0.424214


