%chk=000080314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080314

0 1
 O  -0.8598000       1.346200      0.4656000    
 O   -3.429300       1.044200     -0.5688000    
 C    1.723200      0.3136000      3.3799998E-02
 C    3.029500     -0.4687000     -0.1419000    
 C   0.4946000     -0.5959000      6.0999999E-03
 C    4.277800      0.4119000     -4.7100000E-02
 C  -0.8175000      0.1351000      0.2555000    
 C   -2.054800     -0.7411000      0.3053000    
 C    5.579100     -0.3702000     -0.1377000    
 C   -3.357900     -0.1021000     -0.1290000    
 C   -4.584800     -0.9730000     -4.1700002E-02
 H    1.638800       1.071000     -0.7552000    
 H    1.752000      0.8568000      0.9867000    
 H    3.019200     -0.9800000      -1.112200    
 H    3.085200      -1.249200      0.6272000    
 H   0.4251000      -1.088500     -0.9703000    
 H   0.5920000      -1.368200      0.7778000    
 H    4.264400      0.9605000      0.9022000    
 H    4.254600       1.161000     -0.8473000    
 H   -1.891000      -1.601500     -0.3531000    
 H   -2.163200      -1.098100       1.334600    
 H    6.435800      0.3070000     -6.6799998E-02
 H    5.645700     -0.9068000      -1.089400    
 H    5.653000      -1.100400      0.6743000    
 H   -4.715300      -1.320300      0.9862000    
 H   -4.478000      -1.825000     -0.7175000    
 H   -5.467900     -0.3969000     -0.3316000    


%chk=000080314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080314

0 1
O -1.092895 0.643111 1.523628
O -2.523180 -1.559158 -1.657022
C 1.511430 0.109255 0.400397
C 2.853851 -0.444181 -0.126740
C 0.397115 -0.952643 0.400320
C 3.973710 0.621105 -0.150843
C -0.934436 -0.471965 0.960885
C -2.136878 -1.420455 0.747687
C 5.318562 0.068745 -0.670242
C -2.839066 -1.014526 -0.567466
C -3.866777 0.096100 -0.453830
H 1.193435 0.971297 -0.218065
H 1.641246 0.503971 1.426250
H 2.714210 -0.849467 -1.150881
H 3.177827 -1.298722 0.504407
H 0.208907 -1.346312 -0.621522
H 0.706827 -1.840940 0.993697
H 4.109318 1.029494 0.871373
H 3.651527 1.472417 -0.784417
H -1.794920 -2.464030 0.653407
H -2.827478 -1.304661 1.599573
H 6.101020 0.849583 -0.677849
H 5.216806 -0.317847 -1.701934
H 5.677403 -0.763064 -0.034861
H -3.462440 0.923782 0.158576
H -4.766002 -0.279632 0.071849
H -4.158619 0.460143 -1.450677


