%chk=000102532.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102532

0 1
 O   -2.365200     -0.3693000      0.8277000    
 O   -2.158400      0.7194000      -1.243400    
 C   -1.429100      0.1673000     -0.1285000    
 C  -0.6388000       1.306700      0.5465000    
 C  -0.5464000     -0.9895000     -0.6444000    
 C   0.2668000       2.104800     -0.4044000    
 C   0.1646000      -1.788800      0.4573000    
 C   -3.639900      0.1281000      0.4134000    
 C   -3.492600      0.2369000      -1.083500    
 C    1.481900       2.733400      0.2924000    
 C    1.255100      -2.729800     -7.7299997E-02
 C    2.544400       1.721600      0.7460000    
 C    2.501900      -2.014700     -0.6158000    
 C    3.302300       1.072700     -0.4192000    
 C    3.346800      -1.352200      0.4819000    
 C    4.150600     -0.1386000     -4.9000001E-03
 C   -4.744000     -0.8080000      0.8561000    
 H  -8.8900000E-02  0.9140000       1.405900    
 H   -1.353400       2.016500      0.9866000    
 H   0.1629000     -0.6057000      -1.382100    
 H   -1.179300      -1.691600      -1.204700    
 H  -0.3321000       2.913000     -0.8440000    
 H   0.6003000       1.497700      -1.248300    
 H  -0.5839000      -2.397600      0.9799000    
 H   0.5918000      -1.124000       1.210300    
 H   -3.773900       1.118300      0.8649000    
 H   -3.564800     -0.7351000      -1.584100    
 H   -4.206100      0.9288000      -1.538800    
 H    1.137100       3.301600       1.165100    
 H    1.946700       3.456600     -0.3887000    
 H   0.8297000      -3.351100     -0.8749000    
 H    1.557100      -3.413900      0.7252000    
 H    2.078100      0.9673000       1.382500    
 H    3.272400       2.243700       1.379700    
 H    2.209500      -1.302000      -1.389400    
 H    3.131500      -2.755600      -1.125300    
 H    3.969300       1.826800     -0.8564000    
 H    2.619300      0.7821000      -1.220000    
 H    4.053400      -2.101500      0.8624000    
 H    2.739700      -1.068600       1.344500    
 H    4.770300     -0.4426000     -0.8575000    
 H    4.841700      0.1677000      0.7900000    
 H   -4.578800      -1.821200      0.4738000    
 H   -4.760800     -0.8859000       1.948400    
 H   -5.722000     -0.4573000      0.5139000    


%chk=000102532-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102532

0 1
O -2.392575 -0.404727 0.833260
O -2.229150 0.738427 -1.249177
C -1.410989 0.124506 -0.154691
C -0.573226 1.250205 0.482031
C -0.614140 -1.071580 -0.710265
C 0.338444 2.016806 -0.509686
C 0.109670 -1.919593 0.367057
C -3.730663 0.144243 0.482815
C -3.619000 0.290728 -1.046927
C 1.503590 2.772589 0.184108
C 1.276906 -2.770531 -0.200889
C 2.609191 1.842867 0.754908
C 2.514779 -1.939747 -0.636349
C 3.462281 1.140208 -0.333711
C 3.297979 -1.314775 0.548093
C 4.217065 -0.125479 0.157492
C -4.798260 -0.822174 0.989027
H 0.030170 0.800448 1.291828
H -1.273602 1.955750 0.968042
H 0.113091 -0.678022 -1.443951
H -1.317469 -1.709938 -1.277933
H -0.283212 2.727053 -1.085585
H 0.759710 1.317332 -1.256677
H -0.631559 -2.576310 0.858876
H 0.501419 -1.262632 1.166872
H -3.846591 1.145297 0.950008
H -3.802451 -0.683210 -1.546940
H -4.275286 1.065837 -1.474829
H 1.092159 3.398441 1.002801
H 1.963276 3.472891 -0.543385
H 0.908146 -3.360272 -1.065415
H 1.593121 -3.506260 0.567025
H 2.134978 1.083037 1.406400
H 3.279251 2.429106 1.415729
H 2.186307 -1.141403 -1.329970
H 3.201286 -2.583331 -1.222857
H 4.197309 1.865989 -0.736908
H 2.816467 0.862302 -1.189262
H 3.912907 -2.104007 1.026714
H 2.586571 -0.978183 1.327114
H 4.916163 -0.457706 -0.637878
H 4.845014 0.146041 1.031376
H -4.669275 -1.816787 0.527110
H -4.723424 -0.938075 2.083756
H -5.809577 -0.444960 0.749641


