%chk=000023284.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023284

0 1
 O   -1.260800     -0.3606000     -0.3959000    
 O    2.027000      0.4821000     -5.7000000E-02
 O   -1.835100      -1.496900       1.527200    
 O    3.444600     -0.5580000      -1.549800    
 C  -1.9600000E-02   1.720800     -0.6115000    
 C  -0.9100000      0.8270000      0.3205000    
 C   -2.189400       1.476900      0.9219000    
 C    1.195400      0.9031000      -1.131100    
 C  -0.8421000       2.195900      -1.829000    
 C   0.5417000       2.956100      0.1124000    
 C   -3.207200       1.956900     -0.1205000    
 C   -1.799000       2.682500       1.792400    
 C   -1.940100      -1.303600      0.3230000    
 C   -2.845500      -2.093100     -0.6061000    
 C    3.131400     -0.2494000     -0.4073000    
 C    3.909200     -0.6345000      0.8389000    
 C   -4.109000      -2.543200      0.1227000    
 C   -2.086700      -3.287800      -1.171400    
 C    3.390700      -1.962000       1.379200    
 C    5.404500     -0.7121000      0.5414000    
 H  -0.2748000      0.5157000       1.162600    
 H   -2.701300      0.7588000       1.570700    
 H   0.8531000      2.3499999E-02  -1.690700    
 H    1.794600       1.515900      -1.817700    
 H   -1.437800       3.086200      -1.629700    
 H   -1.466500       1.404500      -2.253300    
 H  -0.1628000       2.504200      -2.635200    
 H  -0.1451000       3.802100      0.1346000    
 H    1.416600       3.343400     -0.4271000    
 H   0.8919000       2.722100       1.122200    
 H   -4.192600       2.011400      0.3609000    
 H   -3.318500       1.254900     -0.9508000    
 H   -3.027500       2.966100     -0.4925000    
 H   -1.725100       3.624100       1.248700    
 H   -2.607500       2.852200       2.516600    
 H  -0.9044000       2.495900       2.392400    
 H   -3.154700      -1.433500      -1.426600    
 H    3.761500      0.1506000       1.590900    
 H   -3.875600      -3.228100      0.9453000    
 H   -4.636900      -1.683000      0.5491000    
 H   -4.792200      -3.055700     -0.5626000    
 H   -1.192400      -2.959900      -1.712600    
 H   -1.757600      -3.963300     -0.3740000    
 H   -2.713300      -3.856800      -1.865800    
 H    3.919400      -2.245400       2.294900    
 H    3.518200      -2.766600      0.6465000    
 H    2.322000      -1.896700       1.610900    
 H    5.972000     -0.9257000       1.453000    
 H    5.767600      0.2357000      0.1292000    
 H    5.628100      -1.497000     -0.1896000    


%chk=000023284-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023284

0 1
O -1.482498 0.006530 -0.557458
O 1.883378 0.742485 -0.339462
O -0.892202 -1.387091 1.221297
O 1.928217 -1.447374 -1.158677
C -0.179229 2.040115 -0.904150
C -0.923858 1.202200 0.185629
C -2.070612 1.776606 1.071575
C 0.986202 1.167554 -1.452836
C -1.051927 2.380607 -2.144813
C 0.404432 3.341179 -0.295718
C -3.179174 2.560931 0.333533
C -1.535277 2.564951 2.294900
C -1.392296 -1.236497 0.080087
C -1.974992 -2.348030 -0.785574
C 2.271900 -0.607116 -0.295262
C 3.150727 -0.886960 0.917785
C -3.283903 -2.871562 -0.135033
C -0.930761 -3.481425 -0.947805
C 2.539044 -2.048846 1.742394
C 4.588490 -1.228904 0.442218
H -0.161012 0.806746 0.882973
H -2.542857 0.863442 1.489969
H 0.612042 0.266604 -1.967894
H 1.609240 1.763887 -2.143893
H -1.799606 3.155601 -1.914151
H -1.579039 1.485893 -2.516289
H -0.412525 2.772664 -2.959380
H -0.395309 4.038664 0.006419
H 1.026428 3.855664 -1.052193
H 1.043287 3.130585 0.579783
H -4.037884 2.719157 1.012234
H -3.540924 2.009733 -0.552094
H -2.830269 3.557725 0.007597
H -1.087796 3.532788 2.012257
H -2.365855 2.774789 2.994256
H -0.773707 1.981206 2.844519
H -2.208375 -1.912567 -1.773582
H 3.177649 0.031872 1.530051
H -3.076112 -3.277555 0.871024
H -4.041485 -2.072336 -0.040394
H -3.711362 -3.679608 -0.755433
H 0.005042 -3.105205 -1.396437
H -0.686323 -3.917481 0.037055
H -1.341823 -4.278703 -1.593233
H 3.152801 -2.230220 2.643296
H 2.518958 -2.973803 1.139022
H 1.504245 -1.824614 2.054565
H 5.229413 -1.441790 1.316572
H 5.041379 -0.394032 -0.122568
H 4.574517 -2.122756 -0.206380


