%chk=000081307.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081307

0 1
 O   0.9633000       3.432200      -1.286600    
 O    1.287100      -3.426700     -0.8622000    
 O   0.7469000      -2.928800       1.290100    
 C   0.8514000       1.137600     -0.5139000    
 C    1.829200      0.6144000      -1.575700    
 C    1.063800       2.608500     -0.1275000    
 C    3.319900      0.6676000      -1.228500    
 C   -3.320200      3.4499999E-02 -0.7527000    
 C   -3.702200      -1.420800      -1.039400    
 C   -4.109900      0.6543000      0.4067000    
 C   6.2500000E-02   3.106200      0.9306000    
 C    3.673400     -7.1300000E-02  6.4199999E-02
 C   -3.444600      -2.411700      0.1016000    
 C   -3.711000       2.107400      0.6899000    
 C   -1.997600      -2.494800      0.6055000    
 C    5.171100      1.3100000E-02  0.3597000    
 C   -1.372200       2.989100      0.4957000    
 C   -2.278400       2.225300       1.122900    
 C  -0.9806000      -2.973900     -0.4303000    
 C    5.532900     -0.7542000       1.621700    
 C   0.4152000      -3.107800      0.1279000    
 H  -0.1495000       1.017700     -0.9438000    
 H   0.8894000      0.5045000      0.3796000    
 H    1.562200     -0.4278000      -1.793500    
 H    1.673200       1.165400      -2.511500    
 H    2.074600       2.737200      0.2755000    
 H    3.884300      0.2296000      -2.061200    
 H    3.641200       1.713200      -1.154900    
 H   -2.245500      8.7099999E-02 -0.5590000    
 H   -3.500800      0.6247000      -1.659700    
 H   -3.161100      -1.753200      -1.933300    
 H   -4.767600      -1.462800      -1.298800    
 H   -3.966500      6.5499999E-02   1.320100    
 H   -5.181000      0.6215000      0.1728000    
 H   0.2286000       2.558200       1.866200    
 H   0.2559000       4.165300       1.141500    
 H    3.123900      0.3580000      0.9092000    
 H    3.369900      -1.121600     -2.1100000E-02
 H   -4.096600      -2.170000      0.9490000    
 H   -3.753600      -3.409000     -0.2363000    
 H   -4.346900       2.499000       1.492600    
 H   -3.907800       2.720500     -0.1979000    
 H   -1.684900      -1.524400       1.009400    
 H   -1.979600      -3.186300       1.458300    
 H    5.740900     -0.3953000     -0.4831000    
 H    5.469400       1.061400      0.4762000    
 H   -1.671700       3.566600     -0.3752000    
 H   -1.982300       1.655900       2.000400    
 H   -1.284400      -3.951800     -0.8199000    
 H  -0.9380000      -2.259100      -1.259300    
 H    1.142900       4.348000      -1.013500    
 H    5.276400      -1.813900       1.523600    
 H    5.003400     -0.3514000       2.490900    
 H    6.607800     -0.6811000       1.814600    
 H    2.207000      -3.500800     -0.5296000    


%chk=000081307-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081307

0 1
O 0.926760 4.017599 -1.210539
O 1.628122 -3.204719 0.249548
O 0.814703 -1.537849 1.643199
C 1.000684 1.628944 -0.888354
C 2.210786 1.400713 -1.829018
C 1.038610 2.978984 -0.155097
C 3.556223 1.116119 -1.112556
C -3.304849 -0.274772 -0.812436
C -3.555713 -1.800460 -0.913345
C -4.189656 0.452059 0.225529
C -0.088498 3.148936 0.898547
C 3.593312 -0.244481 -0.378350
C -3.314672 -2.598146 0.397890
C -3.842004 1.960793 0.371188
C -1.937493 -2.372487 1.067624
C 4.948184 -0.547254 0.301127
C -1.482936 2.953663 0.339924
C -2.443351 2.182599 0.912583
C -0.746621 -2.784423 0.176621
C 4.951729 -1.902552 1.042941
C 0.593708 -2.426584 0.787470
H 0.064098 1.598574 -1.477714
H 0.928228 0.822003 -0.133027
H 1.985542 0.547124 -2.501201
H 2.312459 2.295104 -2.472202
H 2.014817 3.098274 0.366307
H 4.372646 1.139218 -1.863692
H 3.783486 1.929016 -0.391690
H -2.240438 -0.080546 -0.573547
H -3.477049 0.182183 -1.808919
H -2.915845 -2.212732 -1.720351
H -4.601598 -1.978136 -1.238007
H -4.081140 -0.029784 1.218418
H -5.256589 0.346060 -0.058711
H 0.086882 2.439415 1.731007
H 0.006271 4.170993 1.330493
H 2.795810 -0.277773 0.390472
H 3.363519 -1.048984 -1.110121
H -4.100775 -2.337573 1.133676
H -3.446426 -3.678554 0.182076
H -4.582982 2.424588 1.056323
H -3.950146 2.468978 -0.607671
H -1.816467 -1.311451 1.353451
H -1.895619 -2.949437 2.011996
H 5.754671 -0.537102 -0.460000
H 5.185451 0.263859 1.019061
H -1.700641 3.485459 -0.598938
H -2.205723 1.650179 1.849683
H -0.758047 -3.864805 -0.054380
H -0.797208 -2.260947 -0.800047
H 0.983882 4.909439 -0.782267
H 4.760914 -2.738768 0.339326
H 4.177279 -1.916041 1.836220
H 5.923291 -2.104754 1.529628
H 2.503619 -2.898763 0.617851


