%chk=000158386.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158386

0 1
 O   -2.397600     -0.8583000       1.196700    
 O    3.172600       1.753300      -1.633100    
 O    3.717700      -1.375000     -0.9472000    
 O  -0.9801000      -2.634000       1.402700    
 O    4.961000       2.237700     -0.2604000    
 O   -5.565100       2.102200     -0.4143000    
 C  -0.4084000     -0.7873000     -0.1112000    
 C   0.7296000      3.4499999E-02  0.6111000    
 C    1.997600      0.2123000     -0.2644000    
 C   0.1297000      -1.695300      -1.259400    
 C   -1.476600      0.1704000     -0.6756000    
 C    1.163700     -0.5387000       1.994600    
 C    1.509700      -2.263600     -0.9318000    
 C    2.523200      -1.156300     -0.7356000    
 C    3.075800      0.9250000      0.4754000    
 C    1.868500       1.155900      -1.451900    
 C   -1.260600      -1.557000      0.8964000    
 C   -2.411700      0.3967000      0.4971000    
 C    2.224000      0.3180000       2.709300    
 C  -0.8078000      -2.834100      -1.689600    
 C    3.210500      0.9851000       1.801700    
 C    3.880800       1.717700     -0.4668000    
 C   -3.793200      0.8170000      9.0000004E-02
 C   -4.871600     -2.9999999E-02 -0.2570000    
 C   -4.264500       2.103700     -2.0800000E-02
 C   -5.927000      0.8000000     -0.5559000    
 H   0.3352000       1.038000      0.8308000    
 H   0.2429000      -1.062800      -2.150100    
 H   -2.023600     -0.2951000      -1.504700    
 H   -1.070300       1.109400      -1.064800    
 H    1.558300      -1.554400       1.876900    
 H   0.3021000     -0.6126000       2.668100    
 H    1.861100      -2.888200      -1.761800    
 H    1.485300      -2.883100     -2.9899999E-02
 H    1.609000      0.6513000      -2.386400    
 H    1.154400       1.969500      -1.282200    
 H   -2.003200       1.147300       1.185800    
 H    2.757400     -0.3036000       3.437600    
 H    1.713700       1.104100       3.279700    
 H  -0.4404000      -3.293800      -2.614300    
 H  -0.8616000      -3.627900     -0.9383000    
 H   -1.822600      -2.477300      -1.886300    
 H    3.994900       1.581900       2.256700    
 H   -4.883900      -1.110200     -0.2893000    
 H   -3.825800       3.078700      0.1353000    
 H   -6.946600      0.6297000     -0.8692000    


%chk=000158386-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158386

0 1
O -2.352682 -0.813968 1.276453
O 3.399040 1.552495 -1.781702
O 3.790950 -1.627298 -0.614356
O -0.922957 -2.629762 1.387177
O 5.107420 2.225454 -0.334468
O -5.859445 1.897501 0.112867
C -0.404614 -0.721813 -0.171148
C 0.771364 0.084696 0.549272
C 2.092845 0.128241 -0.278405
C 0.130220 -1.671246 -1.301407
C -1.489216 0.258896 -0.698965
C 1.131984 -0.423371 1.983257
C 1.468608 -2.326246 -0.890388
C 2.574665 -1.320314 -0.588479
C 3.152793 0.923127 0.467728
C 2.059861 0.926775 -1.634069
C -1.196766 -1.522709 0.891587
C -2.423394 0.499246 0.514008
C 2.144354 0.494421 2.716825
C -0.878590 -2.752261 -1.756003
C 3.193811 1.089460 1.811868
C 4.034981 1.625538 -0.500132
C -3.848921 0.813583 0.195301
C -4.760785 0.038399 -0.631812
C -4.556686 1.922751 0.628145
C -5.960964 0.719587 -0.654685
H 0.425263 1.134341 0.657380
H 0.317576 -1.019462 -2.179057
H -2.066500 -0.204705 -1.518113
H -1.069819 1.206937 -1.075156
H 1.536705 -1.450472 1.922569
H 0.219428 -0.496959 2.601524
H 1.837740 -3.014838 -1.672714
H 1.304218 -2.948255 0.013778
H 1.912006 0.309975 -2.533389
H 1.300241 1.731590 -1.597994
H -2.006586 1.267757 1.192051
H 2.628883 -0.070362 3.538167
H 1.613743 1.332934 3.217366
H -0.492503 -3.268435 -2.653379
H -1.038680 -3.508161 -0.968827
H -1.861215 -2.321684 -2.024650
H 3.975170 1.726556 2.247696
H -4.554615 -0.914962 -1.114795
H -4.314075 2.774400 1.257765
H -6.928356 0.543424 -1.115090


