%chk=000168554.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168554

0 1
 O   -1.706200     -0.6190000     -1.2000001E-03
 O    1.709200      0.6133000     -1.5000000E-03
 C   -2.993800     -1.4000000E-03 -1.7000000E-03
 C    2.992500      3.7000000E-03 -1.7000000E-03
 C  -0.6702000      0.3501000      8.8999998E-03
 C   0.6705000     -0.3586000      9.1000004E-03
 C   -3.114500      0.8701000      -1.251100    
 C   -4.038400      -1.115300     -2.0700000E-02
 C   -3.129800      0.8413000       1.265600    
 C    3.116300     -0.8679000      -1.250700    
 C    4.032900       1.121500     -2.1199999E-02
 C    3.131500     -0.8378000       1.266000    
 H  -0.6891000      0.9941000     -0.8753000    
 H  -0.6961000      0.9848000      0.8996000    
 H   0.6909000      -1.002600     -0.8749000    
 H   0.6980000     -0.9924000      0.9003000    
 H   -2.750300      0.3437000      -2.140700    
 H   -4.160300       1.148000      -1.427500    
 H   -2.563300       1.813300      -1.174600    
 H   -3.923000      -1.770800      0.8503000    
 H   -3.912600      -1.750600     -0.9049000    
 H   -5.058500     -0.7179000     -2.2100000E-02
 H   -2.575900       1.784800       1.218100    
 H   -4.177400       1.116600       1.435300    
 H   -2.777100      0.2939000       2.147200    
 H    2.750200     -0.3436000      -2.140700    
 H    4.163200      -1.141900      -1.427000    
 H    2.568900      -1.813300      -1.173600    
 H    3.915400       1.776900      0.8495000    
 H    3.905100       1.756000     -0.9057000    
 H    5.054400      0.7276000     -2.2500001E-02
 H    2.581500      -1.783600       1.219000    
 H    4.180200      -1.109000       1.435800    
 H    2.776700     -0.2916000       2.147400    


%chk=000168554-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168554

0 1
O -1.759032 -0.498455 -0.000691
O 1.759535 0.500379 -0.000881
C -3.130851 0.097854 0.000107
C 3.130998 -0.096418 0.000195
C -0.628389 0.437464 0.000080
C 0.628846 -0.435456 0.000267
C -3.358563 0.941316 -1.276802
C -4.036941 -1.147958 -0.000446
C -3.357810 0.939499 1.278336
C 3.358025 -0.940725 -1.276287
C 4.037779 1.148941 -0.000984
C 3.357330 -0.937660 1.278814
H -0.630259 1.084328 -0.900215
H -0.631268 1.083761 0.900769
H 0.630789 -1.082703 -0.899763
H 0.631773 -1.081391 0.901224
H -3.113643 0.345371 -2.173895
H -4.417177 1.252404 -1.343432
H -2.741005 1.857443 -1.284424
H -3.834344 -1.763652 0.892914
H -3.834900 -1.762517 -0.894713
H -5.102709 -0.857508 0.000064
H -2.739993 1.855438 1.287071
H -4.416331 1.250731 1.345734
H -3.112777 0.342148 2.174467
H 3.113466 -0.345092 -2.173683
H 4.416420 -1.252572 -1.342775
H 2.739779 -1.856404 -1.283369
H 3.835542 1.765195 0.892072
H 3.836071 1.763191 -0.895539
H 5.103384 0.857909 -0.000348
H 2.738745 -1.853085 1.287977
H 4.415611 -1.249677 1.346279
H 3.112799 -0.339699 2.174675


