%chk=000159099.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159099

0 1
 O    1.784100      -1.259700      0.6232000    
 O   -3.476000      0.9442000       1.136200    
 O   -3.227800      -2.277900     -0.6467000    
 O    4.051000      -1.667300      0.4299000    
 C   -1.165200       1.224400      0.2710000    
 C  -0.4964000     -0.1795000      0.2955000    
 C  -0.4543000       2.080400     -0.8286000    
 C    1.001200     -6.2399998E-02  0.5523000    
 C    1.609600      0.6810000     -0.6272000    
 C    1.083800       2.106500     -0.7174000    
 C   -2.689000       1.154400     -4.2199999E-02
 C   -1.002300       1.940800       1.640200    
 C   -1.139500      -1.334500      1.0500000E-02
 C   -3.038600      6.3800000E-02  -1.034900    
 C    3.038500      0.3904000     -0.3566000    
 C   -2.535000      -1.267400     -0.5348000    
 C    3.077600     -0.9533000      0.2753000    
 C  -0.5511000      -2.712500      0.1182000    
 C    4.129200       1.128500     -0.5637000    
 H  -0.8256000       3.112800     -0.7995000    
 H  -0.7136000       1.688800      -1.821200    
 H    1.162400      0.4467000       1.510800    
 H    1.359800      0.1633000      -1.567000    
 H    1.501400       2.609700      -1.597500    
 H    1.395400       2.694400      0.1533000    
 H   -3.017400       2.120600     -0.4457000    
 H   2.8999999E-02   2.230700       1.859000    
 H   -1.593100       2.864400       1.666600    
 H   -1.336600       1.302400       2.466400    
 H   -2.603400      0.2505000      -2.021900    
 H   -4.126600     -9.3000000E-03  -1.149100    
 H  -2.1600001E-02  -2.842300       1.067200    
 H   0.1328000      -2.903500     -0.7148000    
 H   -1.314200      -3.496800      0.1005000    
 H   -4.412400      0.9875000      0.8777000    
 H    4.058800       2.112100      -1.015200    
 H    5.116900      0.7728000     -0.2908000    


%chk=000159099-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159099

0 1
O 1.801226 -1.254311 0.748802
O -3.410868 0.873896 1.181230
O -3.267289 -2.304367 -0.744898
O 4.084849 -1.691996 0.515675
C -1.163188 1.239277 0.272122
C -0.514447 -0.175363 0.305601
C -0.451780 2.122638 -0.822491
C 0.958897 -0.026050 0.603466
C 1.622654 0.729960 -0.595936
C 1.095473 2.166097 -0.689441
C -2.683665 1.167876 -0.068608
C -1.027971 1.946968 1.658982
C -1.169651 -1.346233 -0.003867
C -2.999752 0.086906 -1.110333
C 3.084556 0.415974 -0.363726
C -2.541748 -1.276396 -0.597719
C 3.127063 -0.926209 0.323840
C -0.628890 -2.754461 0.165626
C 4.200794 1.118543 -0.670454
H -0.857909 3.150421 -0.758118
H -0.706048 1.734429 -1.829336
H 1.115488 0.551909 1.533670
H 1.308787 0.181559 -1.512628
H 1.524030 2.684359 -1.567993
H 1.402268 2.742968 0.203455
H -2.998052 2.166363 -0.444856
H -0.000602 2.295888 1.856915
H -1.693817 2.828182 1.684532
H -1.345854 1.277181 2.472565
H -2.475139 0.307349 -2.061466
H -4.080571 0.041956 -1.338230
H 0.186905 -2.810157 0.895688
H -0.249210 -3.154469 -0.795158
H -1.463971 -3.411646 0.462692
H -4.335911 0.597375 0.960087
H 4.155993 2.093244 -1.168477
H 5.189148 0.715042 -0.422213


