%chk=000031778.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031778

0 1
 O   -3.698300       1.444500      0.1855000    
 O    6.378200     -0.8031000       1.133300    
 C   -1.551600      0.3184000      0.5227000    
 C  -0.9467000       1.095800     -0.6790000    
 C   0.5893000       1.052100     -0.8459000    
 C    1.184300     -0.3651000     -0.6483000    
 C   -3.041700      0.1739000      6.8700001E-02
 C  -0.8533000      -1.048900      0.7036000    
 C   -1.670600      0.5218000      -1.918300    
 C   0.6763000     -0.9826000      0.6674000    
 C   -2.946300     -0.1620000      -1.423200    
 C    2.737200     -0.3536000     -0.8269000    
 C    1.285300       2.080300      6.6000000E-02
 C   -1.463300       1.114000       1.840700    
 C   -3.877800     -0.8485000      0.8356000    
 C    2.785900       2.129100     -0.1872000    
 C    3.429400      0.7717000     -7.9499997E-02
 C    3.369600      -1.726400     -0.5231000    
 C    4.887700      -1.664400     -0.5390000    
 C    4.597000      0.6272000      0.5679000    
 C   -5.293700     -0.9371000      0.3266000    
 C    5.357000     -0.6432000      0.4688000    
 C   -6.304800     -1.8100001E-02  0.9496000    
 C   -5.629000      -1.775800     -0.6661000    
 H   -1.249700       2.150800     -0.6094000    
 H   0.8100000       1.359700      -1.879000    
 H   0.7995000      -1.004900      -1.455300    
 H   -1.168100      -1.749000     -7.9800002E-02
 H   -1.162200      -1.504300       1.653200    
 H   -1.058500     -0.1983000      -2.471200    
 H   -1.910600       1.331100      -2.617900    
 H    1.064000     -0.4379000       1.534100    
 H    1.029500      -2.014100      0.7657000    
 H   -3.807700      0.2001000      -1.995300    
 H   -2.848500      -1.239800      -1.595000    
 H    2.921300     -0.1488000      -1.893000    
 H    1.119900       1.857500       1.122100    
 H   0.8660000       3.077900     -0.1136000    
 H   -2.130400      0.6942000       2.601100    
 H  -0.4611000       1.093200       2.273600    
 H   -1.733200       2.166500       1.703800    
 H   -3.910300     -0.6000000       1.903500    
 H   -3.419800      -1.843800      0.7781000    
 H    3.241400       2.843500      0.5092000    
 H    2.967500       2.517900      -1.197500    
 H    3.017300      -2.468200      -1.249000    
 H    3.075100      -2.080000      0.4709000    
 H   -3.859700       1.621400       1.127400    
 H    5.271200      -1.390300      -1.527400    
 H    5.297100      -2.642900     -0.2662000    
 H    5.072800       1.447300       1.094100    
 H   -7.320900     -0.2408000      0.6055000    
 H   -6.301100     -0.1310000       2.038700    
 H   -6.102600       1.027600      0.7063000    
 H   -4.901000      -2.439700      -1.119700    
 H   -6.645300      -1.826000      -1.042600    


%chk=000031778-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031778

0 1
O -3.715101 1.604039 0.190061
O 6.597327 -0.925890 0.850540
C -1.566912 0.383531 0.573579
C -0.945324 1.181471 -0.631655
C 0.603638 1.140854 -0.764959
C 1.167552 -0.306774 -0.636080
C -3.079122 0.255299 0.103918
C -0.889603 -1.014780 0.693633
C -1.679206 0.641853 -1.903452
C 0.658234 -0.961661 0.672253
C -2.995002 -0.027461 -1.411738
C 2.725039 -0.336250 -0.843850
C 1.322776 2.107800 0.210033
C -1.477483 1.125807 1.931789
C -3.924737 -0.776780 0.905264
C 2.848139 2.125854 -0.041325
C 3.471257 0.742436 -0.060500
C 3.331961 -1.740338 -0.600800
C 4.871740 -1.733159 -0.695967
C 4.700737 0.511142 0.504257
C -5.307283 -1.086683 0.335011
C 5.472380 -0.732219 0.294881
C -6.360297 0.004890 0.397714
C -5.579653 -2.312590 -0.190128
H -1.248769 2.239522 -0.503136
H 0.843432 1.500146 -1.792161
H 0.747639 -0.912958 -1.468875
H -1.217744 -1.663305 -0.144349
H -1.222378 -1.509758 1.627088
H -1.048198 -0.086211 -2.447609
H -1.883944 1.471100 -2.602980
H 1.047713 -0.422316 1.558062
H 1.032125 -1.998636 0.755265
H -3.892718 0.374692 -1.909136
H -2.990388 -1.117125 -1.590765
H 2.876954 -0.082168 -1.921157
H 1.133220 1.823626 1.260484
H 0.916490 3.129614 0.079409
H -2.201589 0.709424 2.660736
H -0.480366 1.022506 2.392181
H -1.675465 2.207398 1.819239
H -4.033858 -0.402435 1.947517
H -3.355623 -1.721453 0.964813
H 3.366407 2.769232 0.693563
H 3.024270 2.583862 -1.040441
H 2.901402 -2.461692 -1.322119
H 3.055262 -2.090229 0.411107
H -3.813942 1.839277 1.148294
H 5.191731 -1.432686 -1.716025
H 5.304158 -2.729908 -0.500223
H 5.206626 1.294816 1.083572
H -7.325769 -0.340632 -0.010335
H -6.526412 0.331520 1.444485
H -6.026660 0.897628 -0.161525
H -4.824130 -3.107211 -0.226518
H -6.568531 -2.557129 -0.595640


