%chk=000042745.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042745

0 1
 O   -2.170800      0.3212000      0.3021000    
 O   -3.713100     -0.7522000      -1.041700    
 C    2.474100     -0.7969000     -9.5700003E-02
 C    1.272700      2.1199999E-02 -0.6506000    
 C   0.6730000       1.091200      0.2967000    
 C  -0.4748000       1.872200     -0.3737000    
 C    2.576500      -2.183100     -0.7492000    
 C    2.367400     -0.9594000       1.431200    
 C    3.768500     -1.7400000E-02 -0.4063000    
 C    1.756700       2.086900      0.7333000    
 C   -1.623300      0.9797000     -0.8334000    
 C   -3.218000     -0.5218000      5.3199999E-02
 C   -3.688800      -1.141400       1.334100    
 H   0.4785000     -0.7037000     -0.8678000    
 H    1.532600      0.4740000      -1.616400    
 H   0.2681000      0.6107000       1.194900    
 H  -9.3000002E-02   2.434000      -1.235000    
 H  -0.8674000       2.603700      0.3442000    
 H    3.450900      -2.736600     -0.3892000    
 H    2.660300      -2.096700      -1.838300    
 H    1.688200      -2.786000     -0.5299000    
 H    3.118900      -1.681500       1.777300    
 H    1.392900      -1.377500       1.709500    
 H    2.541400     -7.0799999E-02   2.030500    
 H    4.645500     -0.6336000     -0.1704000    
 H    3.835500      0.2312000      -1.471700    
 H    3.896900      0.9024000      0.1621000    
 H    2.474200       1.726800       1.463600    
 H    1.282900       2.947900       1.222300    
 H    2.295100       2.487500     -0.1329000    
 H   -2.398600       1.611800      -1.283400    
 H   -1.302700      0.2528000      -1.586100    
 H   -4.034100     -0.3616000       2.017700    
 H   -2.878100      -1.718500       1.785900    
 H   -4.523200      -1.816900       1.125400    


%chk=000042745-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042745

0 1
O -1.921398 0.389372 0.626164
O -3.251360 -1.386779 -0.088116
C 2.289032 -0.876635 -0.176560
C 1.621175 0.300227 -0.963531
C 0.851794 1.371783 -0.127650
C -0.497183 1.766947 -0.791528
C 3.073922 -1.748768 -1.194544
C 1.206672 -1.757853 0.503806
C 3.277431 -0.349282 0.897206
C 1.704142 2.646072 0.092659
C -1.555341 0.663754 -0.799122
C -2.793555 -0.682504 0.840624
C -3.089556 -0.837597 2.317429
H 0.935819 -0.158573 -1.706720
H 2.407670 0.812955 -1.556677
H 0.606006 0.948027 0.865928
H -0.314075 2.067407 -1.844455
H -0.917501 2.652898 -0.276042
H 3.553004 -2.610092 -0.691667
H 3.868490 -1.160565 -1.692012
H 2.402363 -2.146095 -1.979510
H 1.675930 -2.602448 1.043184
H 0.510214 -2.181442 -0.245215
H 0.607697 -1.183353 1.234617
H 3.775385 -1.193402 1.411030
H 4.064331 0.280022 0.439037
H 2.761793 0.253760 1.667046
H 2.680300 2.407068 0.549331
H 1.185456 3.365298 0.754710
H 1.900915 3.155601 -0.871165
H -2.473023 0.969253 -1.334631
H -1.193014 -0.277583 -1.250200
H -3.660281 0.035297 2.680837
H -2.151134 -0.881131 2.895732
H -3.677219 -1.752041 2.482306


