%chk=000079841.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079841

0 1
 O   8.4600002E-02 -8.0000004E-03 -0.6150000    
 O    1.414900       2.410800     -0.3977000    
 O    1.581000      -2.334000     -0.4064000    
 O    2.305600       1.369800       1.454000    
 O    2.400900      -1.241100       1.447400    
 C    1.490500      3.7799999E-02 -0.4127000    
 C    2.156200      7.8699999E-02  -1.787200    
 C  -0.6205000     -3.0000001E-04  0.6189000    
 C    1.792200       1.326500      0.3426000    
 C    1.885500      -1.228100      0.3365000    
 C   -2.094300     -4.9899999E-02  0.3411000    
 C   -2.805700       1.134500      0.1854000    
 C   -2.735200      -1.279800      0.2414000    
 C    1.654400       3.686000      0.2061000    
 C    1.904800      -3.591700      0.1949000    
 C   -4.175600       1.088600     -7.2999999E-02
 C   -4.105100      -1.325700     -1.7200001E-02
 C   -4.825300     -0.1414000     -0.1744000    
 C    1.183600       4.773700     -0.7357000    
 C    1.507300      -4.706400     -0.7491000    
 H    3.246700      0.1331000      -1.697300    
 H    1.818900      0.9372000      -2.379100    
 H    1.908900     -0.8074000      -2.383000    
 H  -0.4168000      0.9020000       1.206900    
 H  -0.3583000     -0.8616000       1.244600    
 H   -2.309100       2.098100      0.2592000    
 H   -2.183300      -2.208400      0.3592000    
 H    1.103800       3.750900       1.151200    
 H    2.726400       3.802500      0.4002000    
 H    2.982300      -3.637100      0.3887000    
 H    1.359900      -3.695000       1.139900    
 H   -4.736300       2.010500     -0.1962000    
 H   -4.611000      -2.283400     -9.7000003E-02
 H   -5.891800     -0.1772000     -0.3761000    
 H   0.1166000       4.659100     -0.9535000    
 H    1.711900       4.709800      -1.692800    
 H    1.351900       5.764400     -0.3046000    
 H    2.030100      -4.605600      -1.706000    
 H   0.4351000      -4.662500     -0.9666000    
 H    1.741200      -5.684600     -0.3199000    


%chk=000079841-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079841

0 1
O 0.025385 -0.550699 -1.537805
O 1.261331 1.622178 0.313012
O 1.761415 -1.966670 0.057197
O 1.328847 2.394615 -1.882737
O 3.500321 -0.440364 -0.206074
C 1.404347 -0.058001 -1.438077
C 1.980570 -0.225396 -2.856756
C -0.797338 -0.635240 -0.303853
C 1.361122 1.452412 -1.064079
C 2.331012 -0.812010 -0.454745
C -2.198108 -0.131211 -0.602026
C -2.411497 0.982630 -1.452507
C -3.314308 -0.749436 0.014535
C 1.147444 3.036829 0.802502
C 2.648869 -2.784662 0.950007
C -3.717454 1.473423 -1.672490
C -4.621069 -0.254380 -0.198604
C -4.826648 0.861028 -1.042630
C 1.098455 2.973805 2.324491
C 1.838174 -4.000423 1.383559
H 3.029377 0.110639 -2.889107
H 1.385963 0.381113 -3.557234
H 1.918720 -1.286409 -3.149161
H -0.331391 -0.032732 0.499570
H -0.812232 -1.690345 0.021251
H -1.556003 1.441103 -1.960194
H -3.162856 -1.624280 0.659758
H 2.023213 3.594186 0.425630
H 0.235470 3.478325 0.361739
H 3.552450 -3.056461 0.375324
H 2.957899 -2.149850 1.799764
H -3.871054 2.330746 -2.337838
H -5.475480 -0.743331 0.283217
H -5.839396 1.242408 -1.215336
H 2.008561 2.497977 2.727189
H 0.219846 2.402736 2.670542
H 1.029178 3.997133 2.736187
H 1.521592 -4.595823 0.510445
H 0.937844 -3.697183 1.944949
H 2.454328 -4.643583 2.038084


