%chk=000168840.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168840

0 1
 O    4.141600     -0.3705000     -0.3410000    
 O   0.2707000       2.301000      0.9966000    
 C    1.465200      0.7848000     -0.4210000    
 C    1.938000     -0.1542000      0.7051000    
 C    2.938900      -1.070700     -2.2700001E-02
 C    1.434400     -9.8999999E-02  -1.678000    
 C    2.210100      -1.375500      -1.334200    
 C   0.1128000       1.447900     -0.1388000    
 C    2.508000      0.6041000       1.899200    
 C  -0.9456000      0.3687000      0.1727000    
 C    3.295400      -2.337100      0.7457000    
 C  -0.2840000       2.330100      -1.323600    
 C   -2.325800      0.9234000      0.5469000    
 C   -3.273900     -0.1861000      0.9098000    
 C   -4.146900     -0.8176000      0.1020000    
 C   -5.070700      -1.923400      0.5275000    
 C   -4.268200     -0.4259000      -1.346300    
 H    2.223600       1.568700     -0.5635000    
 H    1.149800     -0.8128000       1.075400    
 H    1.939900      0.4290000      -2.496300    
 H   0.4434000     -0.3587000      -2.056300    
 H    1.494300      -2.195700      -1.197800    
 H    2.890100      -1.648900      -2.148000    
 H    3.080600     -6.8099998E-02   2.546500    
 H    3.180400       1.410100       1.587500    
 H    1.724500       1.033000       2.526700    
 H   -1.069700     -0.3277000     -0.6623000    
 H  -0.6535000     -0.2229000       1.044300    
 H    2.403900      -2.901400       1.037300    
 H    3.931300      -2.991700      0.1387000    
 H    3.868800      -2.101800       1.648500    
 H   -1.127700       2.979700      -1.065400    
 H   0.5343000       3.006800      -1.596900    
 H  -0.5605000       1.748800      -2.208300    
 H    4.713800     -0.9708000     -0.8488000    
 H  -2.3000000E-02   1.827600       1.792000    
 H   -2.734400       1.542900     -0.2564000    
 H   -2.246400       1.588600       1.415300    
 H   -3.219300     -0.5114000       1.947700    
 H   -4.858800      -2.837100     -3.6899999E-02
 H   -4.959300      -2.154300       1.592100    
 H   -6.113100      -1.637400      0.3544000    
 H   -3.452800      0.1991000      -1.716900    
 H   -5.210500      0.1066000      -1.512400    
 H   -4.270900      -1.323900      -1.974600    


%chk=000168840-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168840

0 1
O 4.303969 0.081664 0.217817
O 0.142788 2.330873 0.835211
C 1.526503 0.666978 -0.406742
C 1.974608 -0.388162 0.655480
C 3.270033 -0.973390 0.017262
C 1.756969 -0.079643 -1.757340
C 2.913868 -1.093031 -1.495715
C 0.110826 1.309694 -0.257545
C 2.170763 0.119054 2.097673
C -0.992403 0.262098 0.064600
C 3.760509 -2.292140 0.636301
C -0.225279 2.156236 -1.500277
C -2.427849 0.848181 0.139113
C -3.410873 -0.130595 0.746321
C -4.539875 -0.657475 0.188352
C -5.412700 -1.631383 0.966215
C -5.043126 -0.340062 -1.209568
H 2.248424 1.506548 -0.345498
H 1.239528 -1.221453 0.660804
H 1.993479 0.625593 -2.571616
H 0.838926 -0.621894 -2.054072
H 2.595527 -2.125680 -1.731647
H 3.803468 -0.879868 -2.117604
H 2.664857 -0.645576 2.725181
H 2.805764 1.020761 2.111638
H 1.203335 0.342123 2.590775
H -0.967868 -0.552708 -0.686617
H -0.757966 -0.208939 1.041568
H 2.970504 -3.065198 0.609103
H 4.634035 -2.687493 0.082028
H 4.067531 -2.141393 1.686212
H -1.097716 2.797227 -1.291745
H 0.624734 2.815532 -1.748871
H -0.451058 1.520454 -2.374082
H 5.133634 -0.205348 -0.241871
H 0.482184 1.897138 1.658599
H -2.756377 1.166860 -0.865898
H -2.378515 1.764600 0.762917
H -3.163074 -0.447349 1.773410
H -5.497103 -2.602306 0.437473
H -5.011542 -1.824425 1.976576
H -6.444766 -1.241446 1.075878
H -4.368803 0.327039 -1.770414
H -6.039112 0.144771 -1.165253
H -5.171957 -1.270167 -1.798633


