%chk=000085312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085312

0 1
 O    2.402900     -2.7999999E-03 -9.7999997E-02
 O   -2.408900     -3.8999999E-03 -0.1257000    
 O   2.1400001E-02  -1.105200      0.7969000    
 C   4.3000001E-03 -1.4400000E-02 -0.1269000    
 C    1.258000      0.8184000      0.1061000    
 C   -1.260100      0.8046000      0.1062000    
 C    3.606300      0.7286000      8.6800002E-02
 C   -3.608400      0.7141000      0.1249000    
 C    4.768600     -0.1341000     -0.1278000    
 C   -4.774700     -0.1349000     -0.1195000    
 C    5.723300     -0.8402000     -0.3036000    
 C   -5.732800     -0.8301000     -0.3193000    
 H   6.3999998E-03 -0.4585000      -1.127900    
 H    1.277900       1.197100       1.135300    
 H    1.282000       1.665700     -0.5888000    
 H   -1.279400       1.666000     -0.5714000    
 H   -1.287700       1.164700       1.142000    
 H   1.3000000E-02 -0.7372000       1.697000    
 H    3.636100       1.566500     -0.6194000    
 H    3.633900       1.135000       1.104500    
 H   -3.617800       1.058000       1.165700    
 H   -3.650500       1.593300     -0.5285000    
 H    6.570300      -1.466600     -0.4596000    
 H   -6.582800      -1.446800     -0.4965000    


%chk=000085312-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085312

0 1
O 2.395091 -0.028619 -0.056780
O -2.395596 -0.026709 -0.057099
O 0.008062 -1.026638 1.388729
C -0.000811 -0.042117 0.304021
C 1.266229 0.832810 0.296961
C -1.269806 0.830270 0.317408
C 3.665603 0.720104 -0.031023
C -3.671039 0.711445 0.002656
C 4.769287 -0.167357 -0.413605
C -4.770525 -0.168532 -0.408345
C 5.724791 -0.877202 -0.730152
C -5.722728 -0.872514 -0.747176
H -0.008217 -0.660455 -0.609640
H 1.425724 1.301103 1.298383
H 1.161170 1.651015 -0.452966
H -1.168916 1.666577 -0.413016
H -1.429956 1.273019 1.329902
H 0.036468 -0.552114 2.259985
H 3.615749 1.582075 -0.734890
H 3.846443 1.126603 0.989726
H -3.849607 1.077519 1.038937
H -3.630677 1.599900 -0.668170
H 6.547111 -1.511563 -1.007483
H -6.542550 -1.501321 -1.043862


