%chk=000168338.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168338

0 1
 O    2.804100      -1.938800     -0.4918000    
 O    2.313800       1.391500      -1.391000    
 O    3.474800      0.4419000       1.931400    
 O   -3.371100      -1.253500     -0.3119000    
 O    3.456800       2.605000      0.1850000    
 O   -3.026100      -2.834600       1.269800    
 O   -2.956100       2.783900       1.044900    
 C    1.254000      1.9700000E-02  0.8920000    
 C   0.6012000     -7.5499997E-02 -0.5498000    
 C    2.798000      0.2924000      0.7020000    
 C    3.509500     -0.7684000     -0.1104000    
 C    2.876300     -0.9045000      -1.466200    
 C    1.732200      6.4599998E-02  -1.611900    
 C  -0.4837000      -1.200300     -0.7892000    
 C   0.9573000      -1.225900       1.767700    
 C    2.909700       1.566800     -0.1595000    
 C   0.6097000       1.229200       1.650200    
 C   -1.151900      -1.584600      0.5128000    
 C   -1.544400     -0.6764000      -1.805600    
 C  -0.4841000      -1.636500       1.676800    
 C   8.3499998E-02  -2.508500      -1.389600    
 C   -2.847100     -0.1910000      -1.157600    
 C   -2.579600      -1.961200      0.5358000    
 C   -2.807100       1.170000     -0.5007000    
 C   -2.462300       2.392800      -1.112600    
 C   -3.099300       1.453600      0.8079000    
 C   -2.568200       3.348200     -0.1288000    
 H   4.3200001E-02  0.8666000     -0.6536000    
 H    4.587500     -0.7796000     -4.1000001E-02
 H    3.511800      -1.012100      -2.331800    
 H    1.332300      5.0299998E-02  -2.630100    
 H    1.190900      -1.000500       2.816400    
 H    1.577100      -2.089700       1.514500    
 H  -0.4665000       1.092600       1.783800    
 H    1.038500       1.352600       2.650400    
 H   0.7435000       2.174700       1.114500    
 H   -1.829100      -1.497300      -2.479500    
 H   -1.122000      9.4999999E-02  -2.460800    
 H  -0.9686000      -1.951900       2.596300    
 H   0.7494000      -3.032800     -0.6997000    
 H  -0.7214000      -3.222300      -1.612000    
 H   0.6120000      -2.331200      -2.331400    
 H    3.136100       1.234800       2.378200    
 H   -3.585000     -0.1006000      -1.966700    
 H   -2.171900       2.565400      -2.139100    
 H   -3.408400      0.8627000       1.658000    
 H   -2.409800       4.416400     -0.1039000    


%chk=000168338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168338

0 1
O 2.818125 -2.006952 -0.411125
O 2.308477 1.423817 -1.467765
O 3.419689 0.598645 1.975927
O -3.464047 -1.274790 -0.428013
O 3.362313 2.686624 0.166198
O -3.186460 -2.644307 1.379684
O -3.123498 2.687552 1.138208
C 1.214690 0.037914 0.889295
C 0.586601 -0.074415 -0.563483
C 2.761003 0.349513 0.715358
C 3.520922 -0.722441 -0.087260
C 2.917340 -0.914564 -1.445190
C 1.712402 0.015119 -1.627126
C -0.495405 -1.204658 -0.819037
C 0.973531 -1.237219 1.757403
C 2.853570 1.607202 -0.195386
C 0.571661 1.241078 1.636460
C -1.186552 -1.548856 0.510291
C -1.539987 -0.693990 -1.873905
C -0.478940 -1.637063 1.674360
C 0.086265 -2.545658 -1.373236
C -2.862581 -0.189734 -1.261195
C -2.639853 -1.887130 0.549721
C -2.792017 1.102002 -0.476998
C -2.233804 2.364068 -0.937412
C -3.328813 1.343713 0.775966
C -2.451642 3.293089 0.063058
H 0.029829 0.870925 -0.706575
H 4.593630 -0.806560 0.113034
H 3.518751 -1.169109 -2.322763
H 1.327786 0.022579 -2.657858
H 1.263861 -1.024328 2.800510
H 1.610875 -2.068735 1.406552
H -0.508529 1.066020 1.774028
H 1.032701 1.366730 2.631213
H 0.683365 2.188851 1.078660
H -1.807114 -1.525348 -2.550810
H -1.100817 0.101920 -2.504846
H -0.999389 -1.973976 2.579303
H 0.842969 -2.975844 -0.703749
H -0.735090 -3.275833 -1.488376
H 0.544609 -2.402950 -2.371314
H 3.658086 1.567132 2.007776
H -3.605800 -0.074034 -2.071844
H -1.747555 2.558739 -1.892350
H -3.867485 0.731622 1.492431
H -2.218173 4.346640 0.184380


