%chk=000162141.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162141

0 1
 O    2.215900      0.3275000     -0.7907000    
 O    1.059100      -3.135500     -0.8340000    
 O   -2.411900     -9.8999999E-03 -1.9600000E-02
 O    3.424300       2.029700      0.2696000    
 O  -0.2571000      -4.944900     -0.3529000    
 O   -3.449600       1.084100      -1.758800    
 C  -0.3497000      -1.331600     -8.5000001E-02
 C   0.9054000      -1.705300     -0.8949000    
 C    2.237800      -1.074900     -0.4609000    
 C   -1.225400     -0.2573000     -0.7760000    
 C    2.352100       1.098300      0.4117000    
 C    2.585000      -1.133800      0.9913000    
 C   -1.000500      -2.681600      3.4200002E-02
 C  -0.5503000       1.101900      -1.054500    
 C    2.663100      0.1033000       1.481100    
 C  -0.1146000       1.893200      0.1663000    
 C    1.106600       1.881300      0.7397000    
 C  -7.2200000E-02  -3.741800     -0.3972000    
 C    2.841100      -2.401400       1.719800    
 C   -2.216100      -3.017800      0.4786000    
 C   -1.159900       2.840100      0.7142000    
 C    3.163900       2.961500     -0.7682000    
 C   -3.287200      0.8806000     -0.5639000    
 C    4.298300       3.922200     -0.8708000    
 C   -4.028100       1.582600      0.5209000    
 C   -4.296500      0.8918000       1.822800    
 C   -4.433500       2.837500      0.2771000    
 H  -0.1053000      -1.007600      0.9326000    
 H   0.7479000      -1.462300      -1.954700    
 H    3.054600      -1.527600      -1.036800    
 H   -1.541200     -0.6724000      -1.744600    
 H   -1.192500       1.754100      -1.657000    
 H   0.2914000      0.9485000      -1.734100    
 H    2.912800      0.3537000       2.502400    
 H    1.236500       2.532300       1.607800    
 H    3.599500      -2.994400       1.199500    
 H    1.926800      -2.995700       1.799500    
 H    3.204200      -2.213000       2.735700    
 H   -2.918300      -2.274800      0.8367000    
 H   -2.547300      -4.050600      0.5158000    
 H   -1.750500       3.286900     -8.7899998E-02
 H  -0.6890000       3.683800       1.234100    
 H   -1.776900       2.332000       1.453400    
 H    3.049500       2.442400      -1.726600    
 H    2.259700       3.548200     -0.5780000    
 H    4.130300       4.651800      -1.668500    
 H    4.438800       4.463200      7.1199998E-02
 H    5.237800       3.396800      -1.073400    
 H   -4.815300     -5.6400001E-02   1.647200    
 H   -3.362900      0.6818000       2.354200    
 H   -4.926600       1.495400       2.484700    
 H   -4.976500       3.404500       1.026400    
 H   -4.238400       3.336200     -0.6667000    


%chk=000162141-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162141

0 1
O 2.265289 0.399951 -0.922835
O 0.751761 -2.990970 -1.083206
O -2.391550 0.336735 0.123916
O 3.708686 1.913313 0.286940
O -0.636674 -4.697834 -0.327934
O -3.675450 0.856929 -1.756168
C -0.367442 -1.025997 -0.091228
C 0.787632 -1.499766 -1.040354
C 2.220265 -1.054889 -0.643545
C -1.229584 0.059768 -0.781582
C 2.471120 1.141780 0.353346
C 2.588858 -1.193066 0.827692
C -1.093072 -2.322977 0.243921
C -0.477487 1.387449 -1.079269
C 2.705252 0.042678 1.375568
C 0.046733 2.160106 0.132883
C 1.291058 2.049300 0.685311
C -0.376474 -3.483384 -0.381143
C 2.805853 -2.529451 1.483437
C -2.181751 -2.537106 1.024218
C -0.926900 3.174927 0.715335
C 3.734239 2.960867 -0.765178
C -3.577695 0.748617 -0.508797
C 5.097878 3.643032 -0.669083
C -4.661075 1.039062 0.489611
C -4.385108 0.856965 1.968178
C -5.857314 1.462530 -0.005374
H 0.065041 -0.586115 0.826968
H 0.616247 -1.163381 -2.079538
H 2.940856 -1.572298 -1.305784
H -1.646275 -0.322165 -1.734327
H -1.184906 2.029395 -1.637377
H 0.358874 1.144773 -1.754064
H 2.972824 0.277523 2.406934
H 1.525312 2.698064 1.543115
H 3.566344 -3.115951 0.934121
H 1.886653 -3.144173 1.483617
H 3.143869 -2.414329 2.526690
H -2.703182 -1.718628 1.524347
H -2.550107 -3.561081 1.160386
H -1.207075 3.929768 -0.045627
H -0.502159 3.705258 1.584976
H -1.864216 2.681173 1.031047
H 3.587991 2.478891 -1.750685
H 2.906792 3.680749 -0.596549
H 5.185029 4.434706 -1.435899
H 5.236084 4.101430 0.325559
H 5.908251 2.910932 -0.827512
H -4.180106 -0.202253 2.209079
H -3.497118 1.430337 2.288384
H -5.251085 1.183320 2.568260
H -6.696815 1.699090 0.657074
H -6.005072 1.572994 -1.085058


