%chk=000094751.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094751

0 1
 O   -2.648500      0.8675000     -0.3260000    
 O   -1.474000      -1.463800      0.3030000    
 O   -1.723600       2.269800       1.251900    
 O   0.4363000      -1.352100     -0.9915000    
 C    2.117100      0.7063000      0.1222000    
 C  -0.3965000      0.5774000      0.1699000    
 C   0.7629000       1.247900      0.3063000    
 C    2.782700      0.1513000       1.205500    
 C    2.707800      0.7581000      -1.131900    
 C   -1.642400       1.345800      0.4557000    
 C  -0.4025000     -0.8453000     -0.2623000    
 C    4.067400     -0.3631000       1.030800    
 C    3.992500      0.2437000      -1.306600    
 C   -3.910900       1.527000     -0.1826000    
 C   -1.612300      -2.854800     -3.3000000E-03
 C    4.672200     -0.3170000     -0.2252000    
 C   -4.907300      0.8983000      -1.095100    
 C   -2.820800      -3.397000      0.6792000    
 H   0.7603000       2.294400      0.6066000    
 H    2.322400      0.1092000       2.189200    
 H    2.189100       1.192600      -1.982500    
 H    4.596700     -0.7999000       1.872700    
 H    4.463500      0.2794000      -2.284600    
 H   -4.247900       1.438200      0.8564000    
 H   -3.794100       2.588000     -0.4309000    
 H   -1.709800      -2.977200      -1.088100    
 H  -0.7188000      -3.390100      0.3375000    
 H    5.672500     -0.7176000     -0.3613000    
 H   -5.885000       1.380600      -1.007000    
 H   -4.578300      0.9650000      -2.137600    
 H   -5.022600     -0.1677000     -0.8712000    
 H   -2.954800      -4.460700      0.4626000    
 H   -2.746600      -3.268800       1.764400    
 H   -3.721500      -2.860300      0.3619000    


%chk=000094751-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094751

0 1
O -2.803385 1.015777 -0.290453
O -1.296141 -1.564525 -0.044284
O -1.682212 2.486861 1.133390
O -0.420196 -0.703122 -2.022440
C 2.094593 0.537924 0.373365
C -0.472521 0.663180 0.027328
C 0.741279 1.089665 0.507639
C 3.085898 1.040255 1.270038
C 2.489512 -0.437422 -0.591726
C -1.669052 1.485886 0.372990
C -0.707974 -0.564167 -0.808748
C 4.411502 0.565527 1.234187
C 3.818560 -0.903946 -0.629754
C -4.068066 1.770536 -0.039681
C -1.663382 -2.820066 -0.774072
C 4.783163 -0.413699 0.283316
C -5.159753 1.081242 -0.850850
C -2.271050 -3.762518 0.258979
H 0.667803 1.993259 1.133259
H 2.800225 1.801842 2.005968
H 1.772744 -0.798650 -1.333014
H 5.152829 0.959224 1.937851
H 4.108381 -1.645045 -1.382840
H -4.270050 1.755216 1.046696
H -3.909769 2.820703 -0.345397
H -2.372035 -2.551158 -1.578135
H -0.749631 -3.230502 -1.240814
H 5.814368 -0.782067 0.245728
H -6.121785 1.604883 -0.702663
H -4.918281 1.094506 -1.927292
H -5.282896 0.031688 -0.533165
H -2.562898 -4.712042 -0.225891
H -1.546085 -3.988629 1.059263
H -3.168494 -3.315520 0.719323


