%chk=000094483.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094483

0 1
 O    4.646300       1.405300     -0.6171000    
 O   -4.648400       1.357900      0.6150000    
 O    2.942600      -4.159300     -5.5900000E-02
 O   -2.892800      -4.190900      5.7200000E-02
 O    1.442300      -2.893100      -1.287600    
 O   -1.404200      -2.909900       1.287700    
 O    4.783900      -4.798700       1.197900    
 O   -4.728300      -4.848300      -1.195700    
 C  -1.7100001E-02   4.520700     -1.7000000E-03
 C    1.215800       3.697800     -0.1646000    
 C   -1.302100       3.643900      0.1695000    
 C  -0.3535000       5.487700      -1.199100    
 C   0.1902000       5.494800       1.211100    
 C    1.599400       2.810300      0.8407000    
 C   -1.615900       2.793400     -0.8435000    
 C    1.985000       3.814700      -1.322300    
 C   -2.011700       3.794800       1.319100    
 C    2.752000       2.039700      0.6885000    
 C   -2.760600       2.011100     -0.6909000    
 C    3.137700       3.044100      -1.474600    
 C   -3.156600       3.012500       1.471800    
 C    3.502200       2.169500     -0.4667000    
 C   -3.531000       2.120800      0.4668000    
 C    4.572100      8.4600002E-02 -0.2900000    
 C   -4.560400      1.6300000E-02  0.2834000    
 C    3.454800      -2.007300     -0.3578000    
 C   -3.425100      -2.043600      0.3578000    
 C    3.478800     -0.6741000     -0.7167000    
 C   -3.461500     -0.7102000      0.7158000    
 C    4.455200      -2.577800      0.3863000    
 C   -4.420200      -2.623800     -0.3857000    
 C    5.599300     -0.5011000      0.4742000    
 C   -5.583600     -0.5580000     -0.4748000    
 C    5.547300      -1.853500      0.8221000    
 C   -5.519100      -1.910100     -0.8218000    
 C    2.467700      -3.022100     -0.6511000    
 C   -2.428400      -3.048800      0.6515000    
 C    4.135200      -3.972900      0.5893000    
 C   -4.087300      -4.016200     -0.5878000    
 H   0.4414000       6.229100      -1.346600    
 H  -0.4913000       4.956800      -2.148100    
 H   -1.280500       6.043600      -1.007700    
 H    1.082100       6.114500       1.047800    
 H  -0.6507000       6.187500       1.338400    
 H   0.3545000       4.969300       2.159100    
 H    1.017300       2.702100       1.751900    
 H   -1.024900       2.697400      -1.747300    
 H    1.732700       4.488900      -2.133200    
 H   -1.771200       4.463500       2.133400    
 H    3.041500       1.373100       1.495600    
 H   -3.039900       1.341100      -1.499800    
 H    3.735900       3.135600      -2.376200    
 H   -3.752700       3.100400       2.376100    
 H    2.683100     -0.2569000      -1.324400    
 H   -2.671800     -0.2823000       1.322700    
 H    6.443400      0.1021000      0.7992000    
 H   -6.431100      4.0300000E-02 -0.7977000    
 H    6.336700      -2.306700       1.410300    
 H   -6.304400      -2.371100      -1.409600    


%chk=000094483-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094483

0 1
O 4.280875 1.117162 0.550642
O -4.313641 1.065824 -0.551677
O 1.756097 -4.051967 -1.373356
O -1.684581 -4.047112 1.381635
O 0.288036 -2.228841 -1.580807
O -0.255880 -2.192959 1.588494
O 3.672330 -5.346542 -0.889001
O -3.572933 -5.382445 0.897664
C -0.040311 4.963726 0.000205
C 1.190340 4.032087 0.179703
C -1.262414 4.021877 -0.182206
C 0.082445 5.883357 -1.246815
C -0.171191 5.877653 1.250709
C 1.166290 3.073483 1.231169
C -1.231715 3.070058 -1.239621
C 2.304936 4.032306 -0.693802
C -2.373397 4.003944 0.695725
C 2.182722 2.112461 1.377828
C -2.236675 2.097183 -1.386781
C 3.334108 3.067674 -0.567937
C -3.390997 3.027172 0.569350
C 3.244875 2.102654 0.448862
C -3.293784 2.068403 -0.452526
C 3.970988 -0.210424 0.214226
C -3.977829 -0.255134 -0.213660
C 2.574159 -1.961647 -0.646996
C -2.545661 -1.975854 0.651116
C 2.722019 -0.605085 -0.336195
C -2.721458 -0.623189 0.338407
C 3.602113 -2.905537 -0.432835
C -3.553535 -2.941196 0.437424
C 5.015574 -1.150792 0.439665
C -5.002574 -1.217168 -0.438424
C 4.838456 -2.510935 0.116997
C -4.797427 -2.572969 -0.113757
C 1.396599 -2.660764 -1.236204
C -1.354430 -2.649119 1.242815
C 3.131313 -4.237542 -0.874034
C -3.055347 -4.262417 0.880987
H 0.946059 6.567045 -1.152713
H 0.193380 5.310041 -2.183921
H -0.828680 6.499773 -1.341395
H 0.733856 6.502680 1.346927
H -1.041699 6.552971 1.159516
H -0.275691 5.299806 2.185769
H 0.317740 3.051805 1.923912
H -0.385958 3.062341 -1.936059
H 2.374480 4.766139 -1.502127
H -2.448391 4.732126 1.508681
H 2.143903 1.365077 2.176810
H -2.192080 1.354420 -2.189765
H 4.183305 3.049902 -1.257813
H -4.236293 2.994583 1.263470
H 1.909640 0.104265 -0.509930
H -1.924254 0.103190 0.512075
H 5.953409 -0.785137 0.867296
H -5.947532 -0.871708 -0.867167
H 5.636036 -3.239795 0.287899
H -5.579623 -3.318408 -0.284255


