%chk=000062445.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062445

0 1
 O   0.2162000      0.6144000      0.2375000    
 O   -1.226600       1.570400      -1.286900    
 C    2.629400      0.3557000     -3.6899999E-02
 C    2.657900      -1.169300      0.1818000    
 C    1.314200      0.8576000     -0.6478000    
 C   -2.745900     -0.6199000      0.6496000    
 C   -2.046300      0.7341000      0.8461000    
 C    2.900700       1.062500       1.296100    
 C    2.471000      -1.970600      -1.098500    
 C   -1.005800       1.025600     -0.2141000    
 C   -3.431900     -0.7025000     -0.7162000    
 C   -1.733100      -1.758000      0.7893000    
 H    3.440500      0.6176000     -0.7288000    
 H    3.623100      -1.447900      0.6232000    
 H    1.886500      -1.465200      0.9032000    
 H    1.123600      0.3757000      -1.612800    
 H    1.389500       1.938500     -0.8219000    
 H   -3.506500     -0.7282000       1.432300    
 H   -1.580600      0.7930000       1.837500    
 H   -2.780400       1.548700      0.8148000    
 H    2.148300      0.8088000       2.050400    
 H    2.899800       2.150000       1.166500    
 H    3.881300      0.7767000       1.691800    
 H    1.458800      -1.860900      -1.498200    
 H    3.186100      -1.659700      -1.866500    
 H    2.629900      -3.035400     -0.8994000    
 H   -2.713300     -0.7021000      -1.542100    
 H   -4.016400      -1.626000     -0.7916000    
 H   -4.119200      0.1381000     -0.8578000    
 H   -1.002800      -1.766800     -2.6200000E-02
 H   -1.190100      -1.686600       1.737600    
 H   -2.247500      -2.725400      0.7756000    


%chk=000062445-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000062445

0 1
O 0.292867 0.704384 0.289087
O -1.204342 1.421290 -1.344109
C 2.702671 0.393190 -0.020063
C 2.641600 -1.136262 0.245170
C 1.418126 0.930509 -0.669790
C -2.778715 -0.677505 0.624498
C -2.044875 0.685113 0.865513
C 3.045513 1.172437 1.271803
C 2.494848 -2.002827 -1.024870
C -0.992506 0.989707 -0.185104
C -3.614975 -0.667226 -0.675942
C -1.797009 -1.872563 0.658811
H 3.508820 0.576608 -0.764573
H 3.570261 -1.427095 0.775708
H 1.803344 -1.341977 0.938738
H 1.174721 0.421769 -1.619351
H 1.483708 2.016517 -0.869084
H -3.477546 -0.786324 1.480166
H -1.565905 0.671421 1.859637
H -2.791995 1.499280 0.837793
H 2.255413 1.030360 2.030183
H 3.138340 2.257281 1.076670
H 4.002258 0.820040 1.698680
H 1.527828 -1.832506 -1.533431
H 3.300664 -1.786389 -1.752148
H 2.547636 -3.078369 -0.775347
H -2.972732 -0.527953 -1.563536
H -4.161748 -1.621726 -0.789056
H -4.355157 0.154055 -0.670825
H -1.097829 -1.840588 -0.197925
H -1.192609 -1.873567 1.584582
H -2.350277 -2.828188 0.605715


