%chk=000048898.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048898

0 1
 O    2.472800      0.5186000      -1.906700    
 O   -2.060600       1.726200     -0.2855000    
 O   -3.156200     -0.6822000      0.5645000    
 C    3.273800      2.0400001E-02  0.3325000    
 C    2.309000     -0.3845000     -0.8096000    
 C   0.8420000     -0.4611000     -0.4417000    
 C    3.318100     -0.9815000       1.490200    
 C    2.997500       1.429000      0.8616000    
 C   6.3100003E-02  0.6785000     -0.5347000    
 C   0.3145000      -1.668800     -2.0300001E-02
 C   -1.288100      0.6081000     -0.1952000    
 C   -1.036500      -1.739200      0.3190000    
 C   -1.837800     -0.6009000      0.2316000    
 C   -2.142600       2.552900      0.8739000    
 C   -4.069000      -1.015500     -0.4795000    
 H    4.282700      5.1899999E-02 -0.1026000    
 H    2.616300      -1.366300      -1.193300    
 H    3.522600      -1.991700       1.121200    
 H    4.112400     -0.7174000       2.196800    
 H    2.374600      -1.001400       2.044900    
 H    2.047200       1.483000       1.402000    
 H    3.784900       1.732200       1.561000    
 H    2.979700       2.167000      5.3500000E-02
 H   0.4775000       1.628300     -0.8606000    
 H   0.9299000      -2.560700      5.1399998E-02
 H    3.407700      0.4923000      -2.172800    
 H   -1.458000      -2.684000      0.6514000    
 H   -2.795200       3.400000      0.6453000    
 H   -1.152800       2.935700       1.142600    
 H   -2.571600       1.997300       1.713800    
 H   -3.841000      -2.005800     -0.8864000    
 H   -4.035000     -0.2649000      -1.275500    
 H   -5.078200      -1.033900     -5.9200000E-02


%chk=000048898-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048898

0 1
O 2.533926 0.491995 -1.973419
O -2.042533 1.711415 -0.463098
O -3.139535 -0.745496 0.693623
C 3.401488 0.005127 0.315742
C 2.432640 -0.441043 -0.832734
C 0.961807 -0.504045 -0.444813
C 3.486535 -1.054012 1.438131
C 3.054051 1.399807 0.880191
C 0.115415 0.615981 -0.622695
C 0.422692 -1.685505 0.123295
C -1.239948 0.564117 -0.241001
C -0.937969 -1.750018 0.493533
C -1.783243 -0.636873 0.301425
C -2.584651 2.326305 0.769817
C -4.113909 -0.599708 -0.413613
H 4.408801 0.066470 -0.158279
H 2.758522 -1.456199 -1.153627
H 3.755625 -2.051574 1.040267
H 4.254243 -0.767576 2.179821
H 2.521162 -1.145491 1.967928
H 2.103785 1.370557 1.443333
H 3.847596 1.748169 1.566748
H 2.945910 2.141200 0.068154
H 0.502938 1.530964 -1.077959
H 1.058496 -2.568931 0.254421
H 3.491900 0.605515 -2.200419
H -1.372857 -2.662766 0.913350
H -3.205657 3.168937 0.428984
H -1.757780 2.701042 1.403090
H -3.193319 1.601396 1.340526
H -3.991660 -1.428048 -1.137264
H -3.984788 0.368675 -0.929598
H -5.105984 -0.658786 0.059742


