%chk=000066432.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066432

0 1
 O    5.202900       1.031800     -0.1201000    
 O   -5.701700      2.2500001E-02  0.4510000    
 C    2.808200      0.4434000     -9.4599999E-02
 C    2.126900     -0.9065000     -0.3964000    
 C   0.6679000     -0.9308000      5.8600001E-02
 C  -0.1157000      0.1695000     -0.7196000    
 C    4.229400      0.1223000     -0.5951000    
 C    2.076900       1.534500     -0.8860000    
 C    3.104300      -1.932300      0.1704000    
 C   0.5682000       1.555700     -0.5736000    
 C    4.488700      -1.309700     -8.7200001E-02
 C    2.840900      0.8341000       1.405300    
 C  -1.3000000E-03  -2.284600     -0.1857000    
 C   -1.601500      0.1412000     -0.3716000    
 C   -1.402400      -2.285800      0.4183000    
 C   -2.199500      -1.038400      0.1241000    
 C    3.532200       2.161600       1.592000    
 C   -2.427700       1.252000     -0.6178000    
 C   -3.576500      -1.059700      0.4079000    
 C   -3.795900       1.214100     -0.3401000    
 C   -4.369900      6.0199998E-02  0.1773000    
 C   -6.454400       1.205000      0.1829000    
 H    2.123400      -1.062700      -1.488200    
 H   0.6150000     -0.7293000       1.136100    
 H  -7.0600003E-02 -8.5199997E-02  -1.790000    
 H    4.263700      0.1338000      -1.691900    
 H    2.180600       1.315500      -1.958700    
 H    2.486700       2.539700     -0.7806000    
 H    3.009100      -2.905100     -0.3227000    
 H    2.947800      -2.088400       1.243500    
 H   0.3984000       1.952400      0.4344000    
 H   0.1100000       2.273400      -1.264200    
 H    5.095600      -1.319700      0.8252000    
 H    5.039400      -1.881800     -0.8423000    
 H    3.341000      7.7299997E-02   2.019600    
 H    1.827400      0.9164000       1.810000    
 H   0.5769000      -3.100500      0.2619000    
 H  -5.8499999E-02  -2.487300      -1.263000    
 H   -1.320900      -2.382800       1.508600    
 H   -1.941600      -3.166800      4.9500000E-02
 H    4.534800       2.010000       2.009900    
 H    3.638000       2.817500      0.7302000    
 H    2.994900       2.738700       2.355000    
 H    6.072400      0.7058000     -0.4081000    
 H   -2.025200       2.168700      -1.038400    
 H   -4.031600      -1.962400      0.8106000    
 H   -4.351600       2.120200     -0.5566000    
 H   -6.119300       2.044100      0.8021000    
 H   -7.492900      0.9972000      0.4606000    
 H   -6.451400       1.450000     -0.8846000    


%chk=000066432-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066432

0 1
O 5.312061 1.038440 -0.268305
O -5.758864 0.031716 0.403075
C 2.876683 0.435323 -0.117932
C 2.163460 -0.941502 -0.360888
C 0.685299 -0.949878 0.068666
C -0.070961 0.165596 -0.719384
C 4.286841 0.053825 -0.648904
C 2.126088 1.501363 -0.947554
C 3.145929 -1.987635 0.231004
C 0.621967 1.550503 -0.567217
C 4.557609 -1.379505 -0.076216
C 2.939946 0.807763 1.403431
C -0.017911 -2.302937 -0.172393
C -1.572338 0.167181 -0.387335
C -1.435852 -2.281766 0.435986
C -2.215733 -1.006742 0.117088
C 3.337285 2.268157 1.723539
C -2.375588 1.309382 -0.622065
C -3.605883 -0.995955 0.360600
C -3.766570 1.327434 -0.377586
C -4.386182 0.156780 0.119463
C -6.600958 1.204165 0.166973
H 2.162995 -1.094548 -1.466747
H 0.614964 -0.728516 1.155521
H 0.027135 -0.111786 -1.796373
H 4.231504 -0.000162 -1.760778
H 2.215158 1.243542 -2.025008
H 2.583079 2.499603 -0.824186
H 3.013927 -2.986292 -0.221459
H 2.989139 -2.097752 1.320850
H 0.500611 1.910072 0.473660
H 0.124668 2.295204 -1.216989
H 5.165676 -1.288402 0.843059
H 5.127838 -2.000206 -0.791924
H 3.664763 0.137010 1.902407
H 1.959902 0.600878 1.874347
H 0.563329 -3.130738 0.276576
H -0.070650 -2.496120 -1.264041
H -1.350082 -2.372616 1.539286
H -2.015606 -3.163575 0.101187
H 4.291474 2.525487 1.236959
H 2.566607 2.987389 1.389762
H 3.454613 2.397341 2.816278
H 6.177421 0.762497 -0.662628
H -1.913646 2.223210 -1.009622
H -4.109035 -1.890718 0.744823
H -4.339644 2.238034 -0.576213
H -6.286029 2.061889 0.793811
H -7.616967 0.892055 0.450860
H -6.587968 1.504313 -0.899565


