%chk=000066428.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066428

0 1
 O    4.577400     -0.9329000     -0.9954000    
 O   -6.352100     -0.2084000     -0.1421000    
 C    2.186300     -0.4872000     -0.5012000    
 C    1.518000      0.7518000      0.1353000    
 C   1.6700000E-02  0.8256000     -0.1565000    
 C    3.681600     -0.2214000     -0.1442000    
 C    2.407200       1.906000     -0.3144000    
 C    1.532100      -1.738200      0.1078000    
 C  -0.6765000     -0.4381000      0.4359000    
 C    3.827000       1.310500     -0.3515000    
 C   1.1000000E-03  -1.738800     -7.0299998E-02
 C  -0.6356000       2.074400      0.4416000    
 C    2.019600     -0.5534000      -2.048300    
 C    4.090500     -0.6064000       1.283300    
 C   -2.189800     -0.3801000      0.2446000    
 C   -2.091000       2.165300     -7.4999998E-03
 C   -2.844200      0.8604000      8.0100000E-02
 C    5.519300     -0.1970000       1.571400    
 C   -2.978000      -1.542500      0.3159000    
 C   -4.242700      0.9018000     -5.9799999E-02
 C   -4.367200      -1.486300      0.1840000    
 C   -4.999600     -0.2650000     -8.6000003E-03
 H    1.615500      0.6938000       1.229700    
 H  -0.1456000      0.8611000      -1.241200    
 H    2.351700       2.753100      0.3773000    
 H    2.120600       2.272200      -1.306600    
 H    1.732800      -1.793700       1.184100    
 H    1.955300      -2.648100     -0.3342000    
 H  -0.5276000     -0.4176000       1.526700    
 H    4.289700       1.537000      -1.320100    
 H    4.435400       1.820300      0.3964000    
 H  -0.2593000      -1.912900      -1.120900    
 H  -0.3826000      -2.603900      0.4830000    
 H  -0.1129000       2.985100      0.1290000    
 H  -0.5845000       2.037400       1.537400    
 H    2.485500      0.2982000      -2.554100    
 H    2.492600      -1.459800      -2.444600    
 H   0.9759000     -0.5795000      -2.370100    
 H    4.032700      -1.695600       1.401200    
 H    3.436700     -0.1596000       2.038500    
 H   -2.121500       2.501000      -1.052100    
 H   -2.596800       2.927600      0.5975000    
 H    5.387100     -0.4076000      -1.107900    
 H    6.233700     -0.5780000      0.8365000    
 H    5.656600      0.8817000       1.669300    
 H    5.817900     -0.6213000       2.537900    
 H   -2.529200      -2.517000      0.4832000    
 H   -4.743100       1.856500     -0.2087000    
 H   -4.942200      -2.407100      0.2381000    
 H   -6.713000      -1.109600     -8.0799997E-02


%chk=000066428-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066428

0 1
O 4.547149 -0.962867 -1.097366
O -6.440959 -0.236328 -0.078351
C 2.199878 -0.446597 -0.509832
C 1.516212 0.805806 0.125878
C 0.004327 0.865103 -0.160442
C 3.714202 -0.171843 -0.160894
C 2.414819 1.992327 -0.310900
C 1.546998 -1.715907 0.091118
C -0.666313 -0.418080 0.423190
C 3.852123 1.376634 -0.419109
C 0.005961 -1.716520 -0.111854
C -0.687170 2.110648 0.433821
C 2.058321 -0.477204 -2.058988
C 4.109357 -0.563673 1.293033
C -2.194561 -0.385011 0.250161
C -2.152164 2.183302 -0.041314
C -2.890714 0.850156 0.068761
C 5.598460 -0.338722 1.645363
C -2.963465 -1.574651 0.320436
C -4.300736 0.857949 -0.036431
C -4.369771 -1.570954 0.214976
C -5.039656 -0.339165 0.034076
H 1.614391 0.703824 1.230769
H -0.158238 0.887112 -1.259294
H 2.376041 2.826797 0.411730
H 2.082288 2.392930 -1.287500
H 1.745645 -1.761312 1.180663
H 1.985335 -2.628311 -0.358404
H -0.458981 -0.389177 1.519985
H 4.269489 1.528188 -1.431212
H 4.546609 1.851917 0.297005
H -0.250380 -1.848914 -1.180644
H -0.404922 -2.597916 0.416598
H -0.154964 3.032740 0.131797
H -0.645161 2.057803 1.541731
H 2.455372 0.437878 -2.531620
H 2.634323 -1.326240 -2.460969
H 1.007333 -0.586891 -2.373289
H 3.879602 -1.635527 1.438604
H 3.482312 0.004550 2.007120
H -2.166849 2.506381 -1.103609
H -2.706130 2.959342 0.521369
H 5.499615 -0.778332 -0.899682
H 6.265123 -0.997464 1.055427
H 5.917510 0.707787 1.485525
H 5.779662 -0.580228 2.708233
H -2.460012 -2.536039 0.463298
H -4.842589 1.800428 -0.173313
H -4.932284 -2.512150 0.274585
H -6.860936 -1.129779 -0.015636


