%chk=000018689.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018689

0 1
 O    2.460000      0.8992000      1.7800000E-02
 O  -2.5000000E-02  -1.467600      9.1399997E-02
 O   -2.444300      0.9679000      5.9000002E-03
 O    3.715300       1.067100      -1.904500    
 O  -3.6499999E-02  -2.904700       1.889500    
 O   -3.666000       1.174500      -1.934000    
 C   1.6500000E-02  0.9870000      0.1796000    
 C   4.5600001E-02   2.128300       1.240300    
 C    1.264000       1.038900     -0.7378000    
 C  -1.9999999E-04 -0.3502000      0.9709000    
 C   -1.233800       1.073400     -0.7321000    
 C   7.3799998E-02   3.547000      0.6848000    
 C    3.625600      0.9306000     -0.6925000    
 C  -4.1400000E-02  -2.696900      0.6844000    
 C   -3.598000       1.034200     -0.7211000    
 C    4.785900      0.7721000      0.2279000    
 C  -6.5099999E-02  -3.762200     -0.3565000    
 C   -4.775600      0.9112000      0.1826000    
 C    4.645800     -1.9700000E-02   1.491900    
 C   0.5761000      -3.530600      -1.690400    
 C   -4.697800       1.398500       1.596900    
 C    5.937100       1.362000     -0.1258000    
 C  -0.6769000      -4.914000     -4.4399999E-02
 C   -5.885000      0.3539000     -0.3247000    
 H  -0.8321000       2.039300       1.893600    
 H   0.9200000       2.002300       1.891900    
 H    1.293400       1.982000      -1.296200    
 H    1.220100      0.2252000      -1.473600    
 H  -0.8840000     -0.3915000       1.620500    
 H   0.8882000     -0.4226000       1.611300    
 H   -1.233000       2.017900      -1.289400    
 H   -1.208500      0.2622000      -1.471700    
 H  -0.8092000       3.762900      7.7500001E-02
 H   8.4100001E-02   4.265400       1.511600    
 H   0.9685000       3.730600      8.3999999E-02
 H    3.966200      0.4827000       2.187800    
 H    4.246300      -1.015600       1.273600    
 H    5.606200     -0.1531000       2.001200    
 H   3.5799999E-02  -2.759300      -2.248700    
 H    1.613400      -3.204200      -1.561300    
 H   0.5890000      -4.438500      -2.302800    
 H   -3.995700      0.7900000       2.175900    
 H   -4.358600       2.439400       1.621700    
 H   -5.669700       1.355800       2.099800    
 H    6.819900       1.285300      0.5008000    
 H    6.034500       1.939000      -1.039700    
 H  -0.7296000      -5.730100     -0.7581000    
 H   -1.144800      -5.077500      0.9211000    
 H   -6.777500      0.2346000      0.2811000    
 H   -5.937200     -2.6000000E-03  -1.348300    


%chk=000018689-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018689

0 1
O 2.431055 0.912123 0.095246
O 0.040444 -1.508712 -0.018065
O -2.456574 1.009877 0.017851
O 3.747448 0.739706 -1.819021
O 0.072885 -2.966885 1.797431
O -3.720752 1.169850 -1.931861
C -0.015112 0.941175 0.124949
C -0.028493 2.116179 1.154714
C 1.235007 0.989332 -0.781736
C -0.032076 -0.371227 0.938677
C -1.232934 0.991432 -0.824209
C -0.114415 3.534220 0.550503
C 3.661025 0.776473 -0.566889
C 0.093052 -2.787601 0.554519
C -3.671390 1.096272 -0.679369
C 4.794731 0.689601 0.412089
C 0.173446 -3.850309 -0.502309
C -4.837481 1.090029 0.264768
C 4.490404 0.738483 1.895083
C 0.204366 -3.436386 -1.959010
C -4.577636 0.976480 1.752748
C 6.049370 0.566757 -0.103002
C 0.216068 -5.143748 -0.078574
C -6.079807 1.186522 -0.284627
H -0.888382 1.965300 1.834629
H 0.889259 2.037361 1.767680
H 1.287314 1.926820 -1.364471
H 1.257429 0.139225 -1.485629
H -0.963551 -0.461027 1.523893
H 0.832204 -0.427657 1.622236
H -1.227922 1.892958 -1.462887
H -1.269548 0.102160 -1.478210
H -1.050859 3.685915 -0.015920
H -0.094345 4.287823 1.358279
H 0.734668 3.754431 -0.121953
H 3.968813 1.674955 2.163212
H 3.822422 -0.090799 2.190500
H 5.418965 0.669961 2.486371
H -0.699759 -2.860905 -2.228258
H 1.070163 -2.782127 -2.167755
H 0.266379 -4.320772 -2.615177
H -4.042996 0.039467 1.992207
H -3.938352 1.804361 2.108946
H -5.525433 0.994194 2.316614
H 6.928251 0.495319 0.546549
H 6.204664 0.534916 -1.186949
H 0.276162 -5.974928 -0.789225
H 0.191427 -5.379381 0.990994
H -6.980482 1.188371 0.338498
H -6.203320 1.263914 -1.370380


