%chk=000163001.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163001

0 1
 O    3.760100      -1.943400     -0.7739000    
 O   0.6979000      -2.795500      -1.933000    
 O    2.401700     -0.9517000       2.157300    
 O   -5.499100     -0.7920000      -1.215100    
 C    1.852300       3.298000      0.6504000    
 C    2.148200       3.186200     -0.8472000    
 C   0.5078000       3.986100      0.8945000    
 C    3.493300       2.521900      -1.158300    
 C  -0.6873000       3.231300      0.3005000    
 C    3.654500       1.077900     -0.6700000    
 C  -0.9483000       1.836300      0.8852000    
 C    2.596200      0.1209000      -1.223000    
 C   -2.160900       1.134700      0.3252000    
 C    2.733600      -1.280400     -0.6480000    
 C    1.578100      -1.860500      9.4700001E-02
 C   -3.405400       1.303100      0.9322000    
 C   -2.038000      0.3192000     -0.7997000    
 C   -4.527100      0.6560000      0.4139000    
 C   -3.159800     -0.3279000      -1.317800    
 C   0.6090000      -2.596200     -0.5873000    
 C    1.466500      -1.667700       1.471600    
 C   -4.404400     -0.1594000     -0.7111000    
 C  -0.4716000      -3.139400      0.1077000    
 C   0.3859000      -2.210800       2.166600    
 C  -0.5832000      -2.946700       1.484700    
 H    1.857200       2.312600       1.126000    
 H    2.642800       3.884800       1.133300    
 H    2.157800       4.193600      -1.282600    
 H    1.360800       2.637200      -1.369900    
 H   0.3596000       4.100100       1.975100    
 H   0.5338000       4.998300      0.4729000    
 H    3.644400       2.542900      -2.244900    
 H    4.298600       3.127300     -0.7242000    
 H  -0.6087000       3.172300     -0.7905000    
 H   -1.579700       3.845900      0.4831000    
 H    3.642800       1.050900      0.4256000    
 H    4.649300      0.7198000     -0.9638000    
 H  -7.5499997E-02   1.193400      0.7226000    
 H   -1.051300       1.912400       1.975700    
 H    1.589900      0.4831000     -0.9931000    
 H    2.670400      4.6100002E-02  -2.313700    
 H   -3.513800       1.937500       1.807900    
 H   -1.074600      0.1842000      -1.283800    
 H   -5.494100      0.7912000      0.8909000    
 H   -3.050500     -0.9607000      -2.194600    
 H   -1.231000      -3.712000     -0.4178000    
 H   0.2853000      -2.067700       3.239100    
 H   -1.425400      -3.368400       2.025300    
 H    1.500100      -2.379500      -2.287000    
 H    2.152900     -0.9210000       3.097000    
 H   -5.231800      -1.313600      -1.991400    


%chk=000163001-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163001

0 1
O 3.805791 -2.136620 -1.389643
O 2.828912 -4.220637 -0.528640
O 0.196647 -0.087746 -0.383475
O -5.267738 -1.346980 0.334949
C 1.837839 3.671834 0.475497
C 2.512335 3.232648 -0.847592
C 0.492444 4.414920 0.263256
C 3.747363 2.320043 -0.637389
C -0.688903 3.474796 -0.090719
C 3.417244 0.853994 -0.257118
C -1.232208 2.721951 1.143843
C 2.828432 0.046200 -1.455958
C -2.285395 1.648072 0.869487
C 2.743834 -1.429964 -1.121806
C 1.585279 -2.096058 -0.503218
C -2.823977 0.899768 1.956486
C -2.779353 1.360420 -0.429949
C -3.809422 -0.085041 1.764881
C -3.770827 0.371520 -0.642647
C 1.687736 -3.525752 -0.231304
C 0.342005 -1.461625 -0.151792
C -4.285740 -0.351050 0.457258
C 0.612170 -4.246112 0.345685
C -0.721991 -2.187224 0.421109
C -0.576930 -3.574283 0.664589
H 1.676753 2.786650 1.122625
H 2.539928 4.330262 1.025914
H 2.819137 4.142731 -1.402368
H 1.776384 2.713098 -1.492678
H 0.232403 4.989827 1.175955
H 0.625163 5.161328 -0.546125
H 4.365295 2.311723 -1.558224
H 4.382933 2.760832 0.158502
H -0.351661 2.750642 -0.859094
H -1.510476 4.060909 -0.549030
H 2.703405 0.824810 0.587969
H 4.343975 0.349564 0.077921
H -0.385010 2.257381 1.687903
H -1.663078 3.465007 1.846459
H 1.843073 0.449690 -1.729133
H 3.524076 0.133692 -2.310809
H -2.462648 1.099082 2.972801
H -2.410171 1.922755 -1.293416
H -4.222478 -0.652116 2.604350
H -4.133704 0.172530 -1.659327
H 0.745087 -5.315438 0.526783
H -1.653676 -1.673970 0.685216
H -1.409917 -4.127268 1.112257
H 3.498003 -3.522218 -0.949293
H -0.720094 0.219553 -0.134704
H -5.538947 -1.467432 -0.608941


