%chk=000028730.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028730

0 1
 O    4.168400     -0.1906000      0.8761000    
 O  -0.6250000      0.1740000      0.6602000    
 O    1.715000     -0.3149000       2.162100    
 O   -4.142500      0.7372000      0.4283000    
 O   -1.828000       1.995300     -9.0499997E-02
 O   -6.048800       1.829400      -1.274600    
 C    1.777800     -2.6699999E-02  0.7634000    
 C    3.103400      0.6701000      0.4861000    
 C   0.5940000      0.8594000      0.3927000    
 C    5.335700     -8.5800000E-02  0.1675000    
 C    5.843400      -1.181400     -0.5236000    
 C    6.006300       1.133300      0.1491000    
 C    7.033500      -1.056700      -1.240400    
 C    5.132900      -2.494700     -0.5112000    
 C    7.196200       1.258000     -0.5679000    
 C    7.709900      0.1630000      -1.262500    
 C   -1.771200      0.8632000      0.3699000    
 C   -2.963900      8.0000004E-03  0.7074000    
 C   -5.255300      1.5000000E-02  7.0600003E-02
 C   -6.202700      0.5695000     -0.7803000    
 C   -5.414400      -1.270600      0.5725000    
 C   -7.328200     -0.1740000      -1.135400    
 C   -6.539900      -2.014000      0.2172000    
 C   -7.496700      -1.465800     -0.6368000    
 H    1.723900     -0.9911000      0.2472000    
 H    3.183000       1.591800       1.074800    
 H    3.170500      0.9219000     -0.5801000    
 H   0.6387000       1.116700     -0.6720000    
 H   0.6118000       1.780300      0.9887000    
 H    5.622700       1.992100      0.6926000    
 H    7.447400      -1.900000      -1.787000    
 H    1.753800      0.5283000       2.645000    
 H    4.133900      -2.389700     -0.9471000    
 H    5.039500      -2.867000      0.5143000    
 H    5.667700      -3.255200      -1.090200    
 H    7.724000       2.207100     -0.5836000    
 H    8.636800      0.2601000      -1.820200    
 H   -2.929400     -0.2347000       1.774600    
 H   -2.881600     -0.8936000      8.7600000E-02
 H   -4.708300      -1.723500       1.261500    
 H   -8.077500      0.2473000      -1.800200    
 H   -6.674900      -3.017500      0.6104000    
 H   -8.373800      -2.044100     -0.9122000    
 H   -5.215900       2.193700     -0.9272000    


%chk=000028730-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028730

0 1
O 3.895919 -0.467104 -0.229979
O -0.744516 0.173904 -1.588098
O 0.997265 -0.319311 0.653474
O -3.888054 0.416332 0.161789
O -1.343524 1.458759 0.276303
O -5.550402 1.583785 1.881292
C 1.559410 -0.088984 -0.677351
C 2.949513 0.569760 -0.635469
C 0.620824 0.758140 -1.564449
C 5.243695 -0.090514 -0.043721
C 6.096833 -1.137661 0.413624
C 5.738444 1.212345 -0.286063
C 7.460530 -0.828940 0.615195
C 5.533952 -2.520389 0.668905
C 7.110058 1.487072 -0.074229
C 7.975215 0.468930 0.375910
C -1.612103 0.589674 -0.576779
C -2.909617 -0.193732 -0.714839
C -5.170873 -0.179808 0.233460
C -6.022513 0.483668 1.162174
C -5.621337 -1.294071 -0.497936
C -7.338348 0.023266 1.349843
C -6.948314 -1.752871 -0.301420
C -7.798591 -1.095956 0.615263
H 1.664864 -1.101857 -1.101869
H 2.957013 1.409981 0.090662
H 3.228682 0.963847 -1.637671
H 0.943927 0.738171 -2.617372
H 0.554178 1.802452 -1.203426
H 5.079331 2.013019 -0.635142
H 8.129772 -1.622329 0.969000
H 0.673465 0.539333 1.035071
H 5.131653 -2.966282 -0.259806
H 4.690765 -2.480506 1.382096
H 6.309086 -3.193835 1.072345
H 7.492856 2.496416 -0.261583
H 9.037156 0.677991 0.542262
H -2.714781 -1.248284 -0.428880
H -3.239611 -0.175192 -1.772284
H -4.967055 -1.806352 -1.210651
H -7.980099 0.543514 2.066835
H -7.307938 -2.619368 -0.865500
H -8.823097 -1.452169 0.764561
H -4.601437 1.748253 1.631254


