%chk=000003691.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003691

0 1
 O  -0.8110000       2.370500     -0.7959000    
 O   -1.976100      -2.208900     -0.3157000    
 O   -4.684300      -1.665400     -0.1956000    
 O   -3.524200       2.871400     -0.6701000    
 C    2.243400     -0.8522000      0.8224000    
 C   0.7208000     -0.4029000      0.8048000    
 C    3.291200      0.2209000      0.3247000    
 C   0.5561000       1.019100       1.446400    
 C    2.956400       1.621700      0.9134000    
 C    1.496800       2.034100      0.7872000    
 C    2.510200      -2.242300      0.1804000    
 C    3.422000      0.1739000      -1.209700    
 C   0.1010000     -0.3635000     -0.6111000    
 C  -0.1368000      -1.418600       1.608100    
 C    2.713000      -2.238900      -1.333300    
 C    4.696700     -0.1212000      0.9067000    
 C    3.709500      -1.189200      -1.801500    
 C   0.7227000       1.049800       2.976300    
 C   -1.316500      6.1799999E-02 -0.5595000    
 C    3.327400       1.228700      -2.038100    
 C   -1.718000       1.339100     -0.6477000    
 C   -2.317800      -1.032400     -0.3990000    
 C   -3.751400     -0.6596000     -0.3435000    
 C   -3.155000       1.704100     -0.5898000    
 C   -4.134900      0.6144000     -0.4325000    
 C   -4.941200      -1.914500       1.172700    
 H    2.467400      -1.002200       1.889800    
 H  -0.4636000       1.387400       1.358100    
 H    3.594500       2.395300      0.4676000    
 H    3.217600       1.639400       1.979900    
 H    1.361500       3.020300       1.248400    
 H    1.296900       2.168100     -0.2728000    
 H    1.723700      -2.958800      0.4331000    
 H    3.418100      -2.658800      0.6364000    
 H   0.1402000      -1.349200      -1.077900    
 H   0.6646000      0.2887000      -1.283100    
 H   -1.133100      -1.046300       1.864500    
 H  -0.2112000      -2.393400       1.121900    
 H   0.3445000      -1.628200       2.572500    
 H    1.772500      -2.108200      -1.870000    
 H    3.076500      -3.228600      -1.638200    
 H    4.683300     -0.1074000       2.003200    
 H    5.059000      -1.110500      0.6137000    
 H    5.445600      0.6100000      0.5782000    
 H    3.694300      -1.161200      -2.898500    
 H    4.725800      -1.497800      -1.530800    
 H  -9.5399998E-02  0.5205000       3.475700    
 H    1.661900      0.5967000       3.304800    
 H   0.7024000       2.080700       3.347700    
 H    3.142700       2.237800      -1.693400    
 H    3.441900       1.109600      -3.111200    
 H   -5.183200      0.8914000     -0.3932000    
 H   -1.315100       3.201600     -0.8307000    
 H   -5.380500      -1.037700       1.661300    
 H   -4.032300      -2.222700       1.701400    
 H   -5.663400      -2.733700       1.240200    


%chk=000003691-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003691

0 1
O -1.043777 2.533753 -0.890365
O -2.158271 -2.093605 -0.203244
O -4.943820 -1.364806 0.004874
O -3.597834 3.094312 -0.972794
C 2.228470 -0.780878 0.947244
C 0.750196 -0.201597 1.051115
C 3.331456 0.164560 0.302916
C 0.782853 1.261790 1.637909
C 3.183845 1.616260 0.842229
C 1.745493 2.166382 0.826089
C 2.331470 -2.226880 0.356993
C 3.313110 0.066671 -1.238052
C 0.024595 -0.201452 -0.354884
C -0.062950 -1.116322 2.012964
C 2.433953 -2.335676 -1.187798
C 4.740425 -0.326357 0.785824
C 3.462930 -1.346793 -1.794364
C 1.104783 1.331737 3.154957
C -1.438044 0.199847 -0.365998
C 3.233003 1.129314 -2.082887
C -1.885762 1.476993 -0.638040
C -2.463840 -0.854069 -0.249228
C -3.943498 -0.455669 -0.224448
C -3.347091 1.860062 -0.711416
C -4.341331 0.844291 -0.476049
C -4.734117 -2.787209 0.376691
H 2.536920 -0.872531 2.012620
H -0.240563 1.673628 1.519692
H 3.863267 2.285063 0.278462
H 3.555153 1.626533 1.886409
H 1.737636 3.185187 1.262831
H 1.373007 2.269803 -0.206924
H 1.478050 -2.837066 0.706499
H 3.232823 -2.703857 0.789783
H 0.060789 -1.234620 -0.734774
H 0.582388 0.441136 -1.056380
H -1.006942 -0.622622 2.314146
H -0.333386 -2.073409 1.536381
H 0.505340 -1.335678 2.934736
H 1.452197 -2.155155 -1.658604
H 2.718154 -3.372986 -1.454497
H 4.785701 -0.310015 1.891462
H 4.985381 -1.349038 0.455933
H 5.526003 0.350168 0.400696
H 3.364872 -1.330154 -2.895835
H 4.485137 -1.718186 -1.576737
H 0.316017 0.857814 3.764564
H 2.063397 0.847162 3.415677
H 1.175371 2.390328 3.469636
H 3.141496 2.163496 -1.737113
H 3.259040 0.984525 -3.170264
H -5.398943 1.117526 -0.490097
H -1.646393 3.328553 -1.067645
H -4.074046 -2.874290 1.254161
H -4.295508 -3.345668 -0.463409
H -5.751505 -3.137606 0.607051


