%chk=000138995.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138995

0 1
 O   -1.822900       2.075700      6.3000000E-03
 O    1.803100      -2.079800      6.3000000E-03
 C   -2.835900     -0.5954000      3.5999999E-03
 C    2.816800      0.5910000      3.5999999E-03
 C   -1.333000     -0.2700000      2.7000001E-03
 C    1.357300      0.2757000      3.5000001E-03
 C  -0.9336000       1.043200      2.9000000E-03
 C   0.9142000      -1.047000      3.5000001E-03
 C  -0.4526000      -1.324500      3.1999999E-03
 C   0.4335000       1.320800      3.1999999E-03
 C   -3.035800      -2.126400      4.8000002E-03
 C   -3.497700      2.0000001E-03  -1.257100    
 C   -3.596200     -3.5000000E-02   1.226900    
 C    3.620700      4.0700000E-02   1.227300    
 C    3.521500      1.5000000E-03  -1.256600    
 C    3.060900       2.131300      3.4000000E-03
 C   -1.326700       3.433700      6.3000000E-03
 C    1.306400      -3.437500      6.0999999E-03
 H  -0.7726000      -2.351100      5.2000000E-03
 H   0.7584000       2.348400      5.2999998E-03
 H   -4.109300      -2.360100     -5.7000001E-03
 H   -2.630900      -2.609800     -0.8928000    
 H   -2.642600      -2.607900      0.9085000    
 H   -2.959200     -0.2977000      -2.164200    
 H   -3.554700       1.093600      -1.252200    
 H   -4.528600     -0.3586000      -1.358900    
 H   -3.134400     -0.3786000       2.160100    
 H   -4.640600     -0.3688000       1.230400    
 H   -3.614600       1.058000       1.258500    
 H    4.666000      0.3699000       1.199400    
 H    3.180000      0.3985000       2.165200    
 H    3.628200      -1.052400       1.267600    
 H    3.004600      0.3144000      -2.171700    
 H    4.556700      0.3566000      -1.327400    
 H    3.564700      -1.091100      -1.257800    
 H    4.138000       2.344500     -8.8999998E-03
 H    2.654500       2.617900     -0.8915000    
 H    2.668900       2.617000      0.9052000    
 H  -0.7572000       3.643000     -0.9049000    
 H  -0.7558000       3.642300      0.9166000    
 H   -2.200900       4.092000      7.1999999E-03
 H   0.7357000      -3.646300      0.9166000    
 H    2.180400      -4.096100      6.8999999E-03
 H   0.7371000      -3.646800     -0.9051000    


%chk=000138995-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000138995

0 1
O -1.895454 2.089366 -0.004173
O 1.903239 -2.088504 -0.004534
C -2.941313 -0.627818 -0.004006
C 2.949223 0.629221 -0.003919
C -1.429431 -0.291371 -0.004170
C 1.437262 0.292432 -0.004001
C -0.935272 1.046293 -0.004264
C 0.943100 -1.045288 -0.004122
C -0.446642 -1.309560 -0.004066
C 0.454476 1.310587 -0.004142
C -3.202117 -2.158324 -0.003513
C -3.614679 -0.036774 -1.280877
C -3.614763 -0.035915 1.272373
C 3.622882 0.038818 1.273067
C 3.622767 0.037405 -1.280343
C 3.209421 2.159769 -0.004663
C -1.412635 3.468437 -0.005090
C 1.420393 -3.467590 -0.005522
H -0.784712 -2.346914 -0.003869
H 0.792439 2.347991 -0.003872
H -4.293025 -2.336325 -0.003141
H -2.786013 -2.650721 -0.902581
H -2.785475 -2.650154 0.895622
H -3.174147 -0.479034 -2.193989
H -3.487136 1.056177 -1.324663
H -4.697568 -0.265793 -1.274704
H -3.174018 -0.477196 2.185855
H -4.697568 -0.265368 1.266513
H -3.487679 1.057132 1.315275
H 4.705479 0.269281 1.267305
H 3.181532 0.480511 2.186051
H 3.496792 -1.054278 1.316780
H 3.181705 0.478507 -2.193748
H 4.705493 0.267223 -1.274642
H 3.496052 -1.055683 -1.322995
H 4.300244 2.338330 -0.003844
H 2.793638 2.651222 -0.904400
H 2.792033 2.652206 0.893795
H -0.811749 3.689674 -0.909278
H -0.811886 3.690947 0.898881
H -2.320899 4.090253 -0.005563
H 0.819754 -3.690181 0.898499
H 2.328647 -4.089423 -0.006161
H 0.819411 -3.688769 -0.909659


