%chk=000090504.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090504

0 1
 O    4.525200     -0.3347000      -1.332700    
 O   -4.530600     -0.3290000       1.332600    
 O    5.404300       2.022200     -0.1006000    
 O   -5.383900       2.039600      0.1049000    
 O    7.193400       3.480100     -0.2164000    
 O   -7.157100       3.516700      0.2235000    
 C  -4.9300000E-02  -3.489400      5.7000001E-03
 C    1.203100      -2.625500     -0.3613000    
 C   -1.233600      -2.654100      0.3570000    
 C   0.2446000      -4.464800       1.199300    
 C  -0.2383000      -4.456200      -1.223700    
 C    2.376100      -2.747100      0.3837000    
 C   -2.407900      -2.761500     -0.3883000    
 C    1.146700      -1.734200      -1.432800    
 C   -1.167400      -1.765400       1.430100    
 C    3.492600      -1.977400      5.7200000E-02
 C   -3.515900      -1.980400     -6.0300000E-02
 C    2.263000     -0.9645000      -1.759400    
 C   -2.275400     -0.9842000       1.758000    
 C    3.436100      -1.086200      -1.014300    
 C   -3.449700      -1.091700       1.012800    
 C    4.283400      0.9430000      -1.919900    
 C   -4.274800      0.9449000       1.922200    
 C    5.396100       1.891400      -1.517100    
 C   -5.377200       1.906000       1.521100    
 C    6.358600       2.850300      0.4135000    
 C   -6.329200       2.879100     -0.4077000    
 C    6.212500       2.856700       1.883800    
 C   -6.183100       2.886500      -1.878000    
 C    7.035100       3.594900       2.634700    
 C   -6.997500       3.635000      -2.627400    
 H   0.4940000      -3.935800       2.126500    
 H    1.062900      -5.158900      0.9728000    
 H  -0.6402000      -5.076900       1.418100    
 H   0.6798000      -5.024100      -1.422300    
 H   -1.035700      -5.186300      -1.038700    
 H  -0.4848000      -3.918000      -2.146400    
 H    2.477500      -3.419400       1.227500    
 H   -2.513000      -3.435800      -1.230900    
 H   0.2432000      -1.625700      -2.026500    
 H  -0.2644000      -1.665800       2.026200    
 H    4.403700      -2.074700      0.6414000    
 H   -4.428200      -2.067300     -0.6441000    
 H    2.186000     -0.3037000      -2.617700    
 H   -2.191200     -0.3259000       2.617600    
 H    4.253000      0.8405000      -3.010100    
 H    3.340600       1.373500      -1.558400    
 H   -4.245600      0.8400000       3.012100    
 H   -3.327300       1.365700       1.561500    
 H    6.362100       1.484700      -1.838400    
 H    5.237700       2.871700      -1.980200    
 H   -5.208200       2.883600       1.986000    
 H   -6.347600       1.509300       1.841700    
 H    5.432900       2.256900       2.339800    
 H   -5.410000       2.279000      -2.335200    
 H    6.927300       3.599000       3.714300    
 H    7.824100       4.204700       2.208400    
 H   -6.889800       3.639900      -3.707000    
 H   -7.779700       4.252600      -2.200000    


%chk=000090504-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090504

0 1
O 4.833975 -0.394584 -0.444104
O -4.828934 -0.373673 0.441618
O 6.294577 2.164791 -0.064641
O -6.278802 2.192947 0.070967
O 8.524749 2.709994 -0.502731
O -8.504281 2.751476 0.516062
C -0.004971 -3.584047 -0.007928
C 1.266746 -2.701408 -0.082890
C -1.272516 -2.695541 0.070908
C -0.005419 -4.507684 1.247553
C -0.009235 -4.502287 -1.267365
C 2.414915 -2.929571 0.720483
C -2.422756 -2.916870 -0.731501
C 1.334571 -1.650368 -1.032365
C -1.334668 -1.646786 1.023246
C 3.579223 -2.148042 0.581313
C -3.583451 -2.130674 -0.588902
C 2.490498 -0.856562 -1.190677
C -2.486950 -0.848316 1.184940
C 3.623767 -1.110523 -0.377976
C -3.622205 -1.095201 0.372880
C 4.918729 0.699403 -1.417811
C -4.908147 0.717738 1.418682
C 6.294681 1.324489 -1.289893
C -6.281487 1.349176 1.293845
C 7.506787 2.808254 0.226077
C -7.486947 2.846530 -0.214045
C 7.373282 3.592347 1.480310
C -7.352619 3.629906 -1.468643
C 8.413846 4.314725 1.969998
C -8.390292 4.358601 -1.955094
H 0.083581 -3.925316 2.182006
H 0.820820 -5.241640 1.209175
H -0.954625 -5.070398 1.290714
H 0.937784 -5.068463 -1.313774
H -0.838099 -5.233348 -1.231349
H -0.096944 -3.915685 -2.199291
H 2.411082 -3.724021 1.473050
H -2.423332 -3.709419 -1.486075
H 0.457467 -1.434441 -1.654012
H -0.455944 -1.436548 1.644557
H 4.460885 -2.324280 1.205361
H -4.466615 -2.301499 -1.212330
H 2.491751 -0.055675 -1.936409
H -2.483884 -0.049251 1.932629
H 4.790555 0.300123 -2.446130
H 4.131714 1.455429 -1.224028
H -4.780682 0.314779 2.445644
H -4.118133 1.471032 1.226435
H 7.081087 0.554501 -1.205153
H 6.520563 1.966893 -2.161230
H -6.503900 1.990025 2.167209
H -7.071260 0.582809 1.207526
H 6.400348 3.548669 1.980237
H -6.381457 3.580512 -1.971478
H 8.324661 4.892746 2.895474
H 9.374535 4.330589 1.441952
H -8.300335 4.936395 -2.880637
H -9.349294 4.380144 -1.424188


