%chk=000094863.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094863

0 1
 O    2.581000       2.087000       1.176400    
 O   -2.554000       2.160800       1.164700    
 C    2.086000       1.482700     -2.7500000E-02
 C   -2.071000       1.501900     -1.5300000E-02
 C    2.567800      3.5100002E-02 -4.3099999E-02
 C   -2.567400      5.9999999E-02  3.2800000E-02
 C    2.604900       2.353100      -1.181800    
 C   -2.587100       2.328400      -1.203200    
 C   0.6083000       1.519600     -1.5200000E-02
 C  -0.5931000       1.525000     -1.1700000E-02
 C    2.195800     -0.7765000      -1.093000    
 C   -2.786700     -0.5255000       1.261000    
 C    3.358300     -0.4121000      0.9932000    
 C   -2.779100     -0.6086000      -1.153500    
 C    2.635800      -2.100100      -1.107100    
 C   -3.240000      -1.844000       1.305000    
 C    3.798600      -1.735600      0.9791000    
 C   -3.232500      -1.927000      -1.109500    
 C    3.437200      -2.579600     -7.1099997E-02
 C   -3.462900      -2.544700      0.1198000    
 H    2.264600       1.990600      -2.158200    
 H    3.701300       2.368900      -1.190600    
 H    2.275600       3.394000      -1.076300    
 H   -2.327300       3.387300      -1.078500    
 H   -3.680800       2.284500      -1.269900    
 H   -2.168600       2.004100      -2.162300    
 H    1.574900     -0.4178000      -1.908200    
 H   -2.605400     -1.1100000E-02   2.199300    
 H    3.666900      0.2053000       1.829700    
 H   -2.593800     -0.1616000      -2.123600    
 H    2.263600       3.005900       1.210100    
 H   -3.523500       2.217900       1.105600    
 H    2.354900      -2.757100      -1.925000    
 H   -3.415200      -2.326700       2.262000    
 H    4.423000      -2.109700       1.785200    
 H   -3.402200      -2.474400      -2.032100    
 H    3.780000      -3.610100     -8.2199998E-02
 H   -3.813900      -3.571900      0.1541000    


%chk=000094863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094863

0 1
O 2.491600 2.163909 1.303345
O -2.565261 2.149777 1.195483
C 2.047474 1.449265 0.070325
C -2.139838 1.549831 -0.114561
C 2.637527 0.031713 0.173577
C -2.704618 0.114033 -0.209360
C 2.637645 2.180636 -1.171476
C -2.596474 2.490447 -1.254284
C 0.568579 1.452792 0.002451
C -0.661758 1.506141 -0.046154
C 1.958748 -1.088160 -0.361828
C -2.416748 -0.789314 0.849200
C 3.918637 -0.142331 0.752232
C -3.509998 -0.325389 -1.287198
C 2.556309 -2.368695 -0.326068
C -2.929562 -2.102244 0.830201
C 4.511878 -1.422988 0.792992
C -4.025316 -1.643029 -1.305968
C 3.835786 -2.540581 0.249397
C -3.738857 -2.534240 -0.248738
H 2.387019 1.639846 -2.100675
H 3.735341 2.223777 -1.071444
H 2.238626 3.208695 -1.244467
H -2.211179 3.501617 -1.047252
H -3.699521 2.541542 -1.301098
H -2.211709 2.162816 -2.235981
H 0.958997 -0.962394 -0.792805
H -1.786054 -0.450382 1.678013
H 4.425798 0.721880 1.191554
H -3.738263 0.348490 -2.118867
H 1.998124 3.023198 1.351632
H -3.533707 1.956228 1.305274
H 2.020048 -3.229888 -0.740555
H -2.698318 -2.789108 1.651893
H 5.499221 -1.549946 1.251529
H -4.646804 -1.971223 -2.146699
H 4.297921 -3.533869 0.280516
H -4.137291 -3.554851 -0.265037


