%chk=000113623.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113623

0 1
 O  -0.2493000     -0.4764000     -0.8888000    
 O   -2.246600       1.701700     -0.5614000    
 C   0.6706000      0.1153000      5.9200000E-02
 C   -1.401400     -0.5321000     -8.8999998E-03
 C  -7.3200002E-02   1.400300      0.4481000    
 C   0.6168000     -0.8995000       1.206500    
 C   -1.535300      0.9424000      0.4081000    
 C  -0.8423000      -1.356100       1.159100    
 C    2.045400      0.3341000     -0.5283000    
 C   -2.602700      -1.151900     -0.6893000    
 C    3.015100      0.8839000      0.5237000    
 C    2.603000     -0.9617000      -1.128000    
 H   0.1024000       2.204400     -0.2759000    
 H   0.2180000       1.759400       1.440500    
 H   0.8800000     -0.4613000       2.174700    
 H    1.254900      -1.773500       1.051100    
 H   -2.034600       1.069300       1.374300    
 H  -0.8783000      -2.430400      0.9435000    
 H   -1.374500      -1.179400       2.098900    
 H    1.970600       1.056400      -1.351600    
 H   -2.850800     -0.6263000      -1.617500    
 H   -2.392600      -2.187600     -0.9789000    
 H   -3.478500      -1.146500     -3.3399999E-02
 H    3.994300       1.077700      7.1999997E-02
 H    2.656100       1.829900      0.9409000    
 H    3.167700      0.1806000       1.348800    
 H    2.849300      -1.708200     -0.3674000    
 H    3.530900     -0.7483000      -1.671500    
 H    1.908400      -1.410800      -1.844700    
 H   -3.182000       1.442400     -0.5070000    


%chk=000113623-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113623

0 1
O -0.232805 -0.526627 -0.901426
O -2.268914 1.802247 -0.474371
C 0.705784 0.078991 0.107309
C -1.436135 -0.569520 -0.014000
C -0.074181 1.374414 0.496365
C 0.596676 -0.940957 1.287432
C -1.559413 0.922272 0.462558
C -0.904400 -1.386022 1.207456
C 2.083345 0.302006 -0.541007
C -2.620540 -1.141337 -0.773122
C 3.069004 0.957158 0.458203
C 2.675517 -0.994514 -1.141561
H 0.057014 2.145037 -0.283165
H 0.226853 1.793090 1.470929
H 0.855215 -0.481742 2.257588
H 1.270030 -1.797642 1.121400
H -2.050409 0.962477 1.458486
H -0.988831 -2.466397 0.999867
H -1.467003 -1.172393 2.134695
H 1.914686 1.012360 -1.376877
H -2.822573 -0.542385 -1.677899
H -2.412785 -2.178000 -1.088986
H -3.528449 -1.154374 -0.140812
H 4.039218 1.151610 -0.034070
H 2.687540 1.920185 0.843595
H 3.259956 0.291880 1.321477
H 2.961377 -1.715992 -0.352595
H 3.586803 -0.763356 -1.723420
H 1.945502 -1.482385 -1.809159
H -3.226683 1.547714 -0.498088


