%chk=000006602.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006602

0 1
 O    5.150900     -0.9926000     -0.1346000    
 O    3.479000      -2.024100       1.021400    
 C   0.5295000      0.9093000      2.2100000E-02
 C    1.534800     -0.2987000      0.1921000    
 C    2.980000     -8.4399998E-02 -0.3607000    
 C  -0.7426000      0.5884000      0.9142000    
 C    1.231400       2.197600      0.5305000    
 C   0.8913000      -1.635700     -0.2421000    
 C    3.543400       1.269700      0.1210000    
 C    2.598800       2.441700     -0.1049000    
 C   -1.333500     -0.7602000      0.5195000    
 C  -0.3809000      -1.924400      0.5565000    
 C   7.3100001E-02   1.128200      -1.443100    
 C   -1.792300       1.735600      0.9923000    
 C    3.140900     -0.2294000      -1.880400    
 C    3.864200      -1.147100      0.2626000    
 C   -2.614600     -0.9137000      0.1467000    
 C   -3.172400       1.412000      0.4987000    
 C   -3.548300      0.1883000      9.8899998E-02
 C   -4.930900     -0.1140000     -0.3936000    
 C   -4.881500     -0.6182000      -1.832600    
 C   -5.620500      -1.128100      0.5153000    
 H    1.665200     -0.3853000       1.284900    
 H  -0.3779000      0.4652000       1.946300    
 H    1.358900       2.137400       1.619500    
 H   0.6139000       3.082300      0.3415000    
 H    1.559800      -2.491000     -0.1192000    
 H   0.6509000      -1.612700      -1.311100    
 H    4.500300       1.492900     -0.3688000    
 H    3.767300       1.214400       1.196000    
 H    3.039300       3.343700      0.3371000    
 H    2.499700       2.647200      -1.175500    
 H  -0.1175000      -2.130000       1.601700    
 H  -0.8468000      -2.837100      0.1663000    
 H  -0.7041000       1.897300      -1.505300    
 H   0.8731000       1.482200      -2.091000    
 H  -0.3440000      0.2262000      -1.898100    
 H   -1.456900       2.629400      0.4597000    
 H   -1.886000       2.042500       2.042800    
 H    2.580100      0.5154000      -2.441900    
 H    4.184500     -0.1124000      -2.196500    
 H    2.823200      -1.220000      -2.224000    
 H   -2.965700      -1.903500     -0.1275000    
 H   -3.884200       2.233100      0.4753000    
 H   -5.534500      0.8034000     -0.3841000    
 H    5.739900      -1.670800      0.2594000    
 H   -4.401600      -1.598300      -1.924900    
 H   -4.346500      8.4600002E-02  -2.481600    
 H   -5.897700     -0.7210000      -2.230300    
 H   -5.611600     -0.7951000       1.559400    
 H   -5.161900      -2.121600      0.4716000    
 H   -6.669000      -1.246600      0.2188000    


%chk=000006602-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006602

0 1
O 5.097823 -1.233323 -0.543439
O 3.799794 -1.645460 1.317886
C 0.482326 0.881589 0.086321
C 1.533483 -0.292663 0.237476
C 2.939310 -0.074175 -0.433581
C -0.679868 0.534008 1.123835
C 1.176458 2.212817 0.506523
C 0.918492 -1.675125 -0.102937
C 3.508744 1.335053 -0.019512
C 2.494197 2.470306 -0.255913
C -1.276788 -0.830720 0.774624
C -0.293711 -1.980333 0.820309
C -0.134488 1.044636 -1.329709
C -1.777427 1.628100 1.329108
C 2.960305 -0.241824 -1.976823
C 3.922497 -1.068913 0.212003
C -2.558552 -0.966813 0.319711
C -3.077400 1.412937 0.572618
C -3.469451 0.181026 0.130776
C -4.811792 -0.039482 -0.568107
C -4.624426 -0.534795 -2.027792
C -5.721204 -1.014071 0.228410
H 1.760157 -0.324851 1.326534
H -0.151311 0.424629 2.096476
H 1.393996 2.179733 1.595798
H 0.491380 3.066386 0.342058
H 1.680454 -2.465444 0.032099
H 0.589263 -1.711230 -1.158685
H 4.447372 1.521928 -0.574158
H 3.763412 1.315253 1.060245
H 2.939152 3.425139 0.085858
H 2.296158 2.591488 -1.337947
H 0.090254 -2.118530 1.853243
H -0.778733 -2.927071 0.517018
H -0.978911 1.755774 -1.286625
H 0.587987 1.439947 -2.062917
H -0.531849 0.093363 -1.721863
H -1.371043 2.631056 1.097195
H -2.028171 1.666392 2.412080
H 2.333615 0.519551 -2.465196
H 3.989503 -0.143624 -2.357725
H 2.582933 -1.233883 -2.279116
H -2.914655 -1.968096 0.040667
H -3.738544 2.281375 0.442689
H -5.327610 0.941520 -0.609783
H 5.714652 -1.829762 -0.037636
H -4.114957 -1.516247 -2.055027
H -4.016116 0.178105 -2.613473
H -5.603952 -0.650944 -2.528696
H -5.896801 -0.645154 1.254923
H -5.265422 -2.019096 0.303700
H -6.700534 -1.128482 -0.273222


