%chk=000072504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072504

0 1
 O    1.438600       1.191600       1.221600    
 O   -1.711400       2.025500     -0.5552000    
 O    3.579600     -0.7879000     -4.7200002E-02
 O   -4.942000     -0.8127000     -0.1032000    
 O   -3.862500       1.580300      -1.241900    
 O    3.631000      -2.953500      0.6199000    
 C   -1.343300      0.1163000      0.7071000    
 C    1.476300      0.3686000      4.5600001E-02
 C  -0.7156000     -0.8940000     -0.3276000    
 C   0.6051000       1.616000      0.1299000    
 C  -0.8453000       1.537000      0.4861000    
 C   -2.865300      0.3044000      0.6041000    
 C   0.7927000     -0.9438000     -2.7400000E-02
 C   -1.467200      -2.234300     -0.1646000    
 C    2.830200      0.3315000     -0.6060000    
 C   -3.625900      -1.025400      0.4038000    
 C   -2.955000      -2.078700     -0.4704000    
 C   -2.915000       1.343100     -0.5095000    
 C  -0.8061000     -0.4937000      -1.832500    
 C   -3.448900       1.003800       1.859200    
 C    1.518900      -2.067400      8.7700002E-02
 C    3.691200       1.574200     -0.4251000    
 C    2.985800      -1.978100      0.2494000    
 C    3.931900       1.854500       1.058100    
 C    5.021900       1.422700      -1.162000    
 H   -1.071400     -0.2222000       1.717600    
 H   0.8825000       2.523100     -0.3860000    
 H   -1.004400       2.172800       1.364600    
 H   -1.346400      -2.615000      0.8583000    
 H   -1.056800      -2.999500     -0.8352000    
 H    2.711400      0.1345000      -1.680000    
 H   -3.754500      -1.487600       1.391700    
 H   -3.123200      -1.864900      -1.531700    
 H   -3.455900      -3.042600     -0.3096000    
 H   -1.828600     -0.3177000      -2.172900    
 H  -0.2374000      0.4088000      -2.078500    
 H  -0.3981000      -1.293500      -2.464400    
 H   -3.079400       2.025200       1.996300    
 H   -4.540000       1.084200       1.785100    
 H   -3.215200      0.4369000       2.767100    
 H    1.088800      -3.060100      5.0600000E-02
 H    3.180800       2.441900     -0.8607000    
 H   -4.861400     -0.4323000     -0.9942000    
 H    3.958200      0.9567000       1.683500    
 H    4.900400       2.352100       1.196100    
 H    3.206200       2.565600       1.464900    
 H    5.640000      0.6274000     -0.7322000    
 H    5.597800       2.353500      -1.112200    
 H    4.858600       1.193700      -2.220400    


%chk=000072504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072504

0 1
O 1.334650 1.093112 1.530637
O -1.718633 2.058065 -0.568751
O 3.634577 -0.778602 0.122953
O -5.051884 -0.777718 -0.238080
O -3.777725 1.493156 -1.498188
O 3.706558 -2.988938 0.724871
C -1.399382 0.089360 0.760958
C 1.454017 0.378820 0.177955
C -0.729198 -0.917917 -0.243826
C 0.616161 1.622160 0.311189
C -0.877416 1.525788 0.566934
C -2.924918 0.282203 0.543609
C 0.759565 -0.958400 0.095443
C -1.481861 -2.268045 -0.115024
C 2.836549 0.352114 -0.464439
C -3.709765 -1.046339 0.286091
C -2.961196 -2.109169 -0.549644
C -2.914356 1.292939 -0.622093
C -0.747732 -0.482721 -1.755548
C -3.603793 1.001329 1.755118
C 1.532953 -2.076675 0.189743
C 3.740079 1.605861 -0.389932
C 3.005318 -2.016453 0.372693
C 4.312477 1.876535 1.022429
C 4.883403 1.469711 -1.426261
H -1.183245 -0.260912 1.785630
H 0.993850 2.580121 -0.066139
H -1.096588 2.159210 1.446461
H -1.431794 -2.628690 0.932744
H -0.999140 -3.038510 -0.745662
H 2.677159 0.097037 -1.535576
H -3.898264 -1.479922 1.287437
H -3.028168 -1.859413 -1.624201
H -3.496698 -3.067683 -0.426148
H -1.762085 -0.304905 -2.142954
H -0.170407 0.436646 -1.944180
H -0.302256 -1.298849 -2.352805
H -3.271568 2.045624 1.884960
H -4.695791 1.004240 1.598755
H -3.383320 0.448208 2.685830
H 1.113265 -3.085639 0.156485
H 3.107982 2.467652 -0.693155
H -4.970209 -0.135400 -0.997092
H 4.971420 1.046672 1.329480
H 4.910957 2.805451 1.007190
H 3.515266 1.980013 1.775077
H 5.503430 0.585444 -1.196533
H 5.534154 2.361743 -1.399586
H 4.495306 1.362685 -2.457156


