%chk=000051860.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051860

0 1
 O   -3.062400      0.4811000      0.7810000    
 O    4.703300      0.6712000     -0.3353000    
 O   -4.934300     -0.2164000      -1.144400    
 O    3.182800     -6.5200001E-02   1.721800    
 C   0.3428000     -0.8765000      0.3264000    
 C   -1.070900     -0.8155000      0.3480000    
 C    1.084700      0.2552000      0.7022000    
 C   -1.701200      0.3752000      0.7446000    
 C   0.4418000       1.430000       1.093800    
 C  -0.9484000       1.490000       1.115000    
 C   -3.653700       1.479300     -4.5800000E-02
 C   0.9729000      -2.067300     -7.0200004E-02
 C   -1.813000      -1.947000     -2.8100001E-02
 C   -5.050300       1.024000     -0.4489000    
 C    2.544700      0.2684000      0.7066000    
 C   0.2198000      -3.182000     -0.4401000    
 C   -1.170400      -3.122000     -0.4193000    
 C    3.304700      0.6957000     -0.5524000    
 C   -5.724900       2.037900      -1.360600    
 C    5.424400       1.066100      -1.497100    
 C    6.907500       1.017900      -1.197200    
 H    1.015100       2.305900       1.387500    
 H   -1.431500       2.410000       1.432700    
 H   -3.041000       1.633400     -0.9443000    
 H   -3.708800       2.420700      0.5124000    
 H    2.056100      -2.157800     -9.8899998E-02
 H   -2.900300      -1.935700     -2.0300001E-02
 H   -5.662000      0.8375000      0.4398000    
 H   0.7191000      -4.097400     -0.7442000    
 H   -1.755900      -3.990400     -0.7069000    
 H    2.990400       1.712900     -0.8108000    
 H    3.044500      4.9000001E-03  -1.361600    
 H   -6.711200       1.674700      -1.668700    
 H   -5.849000       3.002000     -0.8583000    
 H   -5.146800       2.191900      -2.278500    
 H   -4.383900     -6.8999998E-02  -1.932500    
 H    5.192500      0.3865000      -2.324800    
 H    5.137700       2.084700      -1.781600    
 H    7.493200       1.316300      -2.071300    
 H    7.153900       1.682900     -0.3628000    
 H    7.207800      8.1000002E-03 -0.8985000    


%chk=000051860-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051860

0 1
O -3.022688 0.158302 -0.208124
O 4.923794 0.644522 -0.529932
O -5.664583 0.321921 -1.472090
O 3.361698 -1.421781 0.023558
C 0.353386 -1.415684 0.051479
C -1.085763 -1.229976 0.034014
C 1.222664 -0.272184 -0.216870
C -1.631642 0.079361 -0.235393
C 0.617810 0.972908 -0.483054
C -0.786285 1.166753 -0.495264
C -3.658220 1.447864 -0.509256
C 0.843401 -2.736559 0.332043
C -1.963620 -2.333591 0.278907
C -5.178642 1.244550 -0.434015
C 2.719568 -0.362068 -0.222388
C -0.035303 -3.798311 0.573249
C -1.447522 -3.603169 0.545429
C 3.504655 0.933305 -0.550941
C -5.919976 2.594476 -0.486309
C 5.730126 1.839203 -0.825666
C 7.196738 1.414096 -0.778306
H 1.239088 1.849367 -0.689299
H -1.184777 2.163449 -0.701858
H -3.354804 1.791504 -1.521648
H -3.336824 2.203731 0.236920
H 1.922920 -2.891306 0.352382
H -3.041911 -2.157032 0.245781
H -5.413386 0.713577 0.504401
H 0.370840 -4.794131 0.783658
H -2.123131 -4.445348 0.730192
H 3.250349 1.718709 0.199146
H 3.193017 1.311073 -1.552795
H -7.007582 2.412900 -0.493831
H -5.680204 3.224446 0.389982
H -5.659952 3.165207 -1.399751
H -5.511821 0.727547 -2.364729
H 5.462548 2.239068 -1.830555
H 5.520025 2.634166 -0.073913
H 7.857958 2.273743 -0.992017
H 7.447206 1.013652 0.218777
H 7.390644 0.623937 -1.523509


