%chk=000006801.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006801

0 1
 O    1.484600      -1.831900     -0.5683000    
 O   -2.677000      -2.958300       1.480100    
 O   -4.761800      -1.629700      0.5006000    
 O   -5.953900      0.1637000      -1.561700    
 C    6.112900     -0.2443000     -6.9799997E-02
 C    7.118500      0.8978000     -0.2428000    
 C    4.699100      0.1146000     -0.5325000    
 C    8.514900      0.5650000      0.2874000    
 C    3.734000      -1.050100     -0.3161000    
 C    9.456600       1.763000      0.1556000    
 C    2.333200     -0.7185000     -0.8111000    
 C    10.83550       1.451700      0.7155000    
 C   0.1574000      -1.563300     -0.3550000    
 C  -0.6013000      -2.400800      0.4626000    
 C  -0.4348000     -0.4532000     -0.9575000    
 C   -2.544500      -1.018500      7.5099997E-02
 C   -1.952400      -2.128500      0.6776000    
 C   -1.785700     -0.1810000     -0.7425000    
 C   -3.953100     -0.7155000      0.2878000    
 C   -4.482700      0.6802000      0.2616000    
 C   -5.458600       1.058400     -0.6607000    
 C   -3.987800       1.611500       1.174500    
 C   -5.939600       2.367900     -0.6695000    
 C   -4.468700       2.920800       1.165500    
 C   -5.444500       3.299000      0.2434000    
 H    6.467700      -1.120400     -0.6267000    
 H    6.080900     -0.5337000      0.9880000    
 H    6.738600       1.785400      0.2789000    
 H    7.185600       1.160500      -1.305700    
 H    4.721600      0.3849000      -1.595100    
 H    4.344900      0.9943000      1.8200001E-02
 H    8.922400     -0.2914000     -0.2630000    
 H    8.444000      0.2687000       1.341000    
 H    3.691900      -1.314900      0.7479000    
 H    4.097400      -1.946600     -0.8341000    
 H    9.550600       2.047800     -0.8987000    
 H    9.040400       2.625500      0.6892000    
 H    2.353900     -0.5107000      -1.887100    
 H    1.991400      0.1759000     -0.2739000    
 H    10.77890       1.196100       1.778500    
 H    11.49260       2.320600      0.6096000    
 H    11.29400      0.6119000      0.1838000    
 H  -0.1317000      -3.263800      0.9282000    
 H   0.1124000      0.2056000      -1.625100    
 H   -2.222400      0.6792000      -1.242800    
 H   -3.231100       1.330800       1.902600    
 H   -6.699700       2.676600      -1.382300    
 H   -2.099200      -3.669300       1.806600    
 H   -4.084200       3.645600       1.877100    
 H   -5.819000       4.318400      0.2366000    
 H   -6.618200      0.6067000      -2.117000    


%chk=000006801-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006801

0 1
O 1.506182 -1.347906 0.405885
O -2.906273 -3.181134 0.976012
O -4.911373 -1.868030 -0.504074
O -5.927662 0.232803 -2.281863
C 6.346414 -0.138077 0.192622
C 7.412321 0.903317 -0.215885
C 4.902208 0.315702 -0.117889
C 8.856959 0.454590 0.099888
C 3.845606 -0.738122 0.286585
C 9.923929 1.493613 -0.314458
C 2.422475 -0.265826 -0.013961
C 11.364277 1.038644 0.005225
C 0.133737 -1.147126 0.241083
C -0.686036 -2.222080 0.656892
C -0.452658 0.030633 -0.290624
C -2.710840 -0.967337 -0.005980
C -2.088301 -2.140516 0.533086
C -1.854858 0.097366 -0.393295
C -4.186872 -0.864089 -0.251939
C -4.802627 0.519487 -0.161308
C -5.736199 0.997607 -1.125100
C -4.546564 1.326652 0.976871
C -6.402631 2.232910 -0.932141
C -5.212671 2.554431 1.182195
C -6.147929 3.003644 0.222241
H 6.549847 -1.095827 -0.330054
H 6.437915 -0.350693 1.278109
H 7.205984 1.863172 0.302772
H 7.323518 1.112288 -1.302729
H 4.814614 0.534672 -1.202731
H 4.699556 1.270470 0.411372
H 9.064336 -0.506908 -0.415151
H 8.949400 0.250107 1.187258
H 3.928598 -0.961631 1.367519
H 4.030944 -1.686306 -0.253544
H 9.831228 1.696717 -1.401072
H 9.715453 2.454342 0.199556
H 2.286735 -0.069676 -1.097731
H 2.182765 0.659948 0.549146
H 11.491945 0.860160 1.089731
H 12.107356 1.797449 -0.301902
H 11.607563 0.095504 -0.519747
H -0.202817 -3.111609 1.078229
H 0.157536 0.873562 -0.623125
H -2.312966 1.000213 -0.810211
H -3.826111 0.966071 1.719512
H -7.115259 2.592069 -1.686695
H -2.359563 -3.921669 1.342631
H -5.009165 3.148638 2.078701
H -6.674989 3.953429 0.365012
H -6.621038 0.638053 -2.860426


