%chk=000004952.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004952

0 1
 O  -0.8404000      -4.263100     -0.2194000    
 O   -5.556800       2.077300     -0.8940000    
 O    8.110900     -0.2773000      3.5599999E-02
 O    6.689100       1.031400      -1.157000    
 C   -1.693900      -2.177900      0.7032000    
 C   -3.149300      -1.663300      0.6087000    
 C  -0.6144000      -1.321000      6.0600001E-02
 C   0.7790000      -1.712300      0.5544000    
 C   -1.787400      -3.542000      5.8100000E-02
 C   -3.919000      -2.878000      0.1658000    
 C    1.856700     -0.8219000     -6.7400001E-02
 C   -3.381400     -0.5074000     -0.3067000    
 C   -3.182600      -3.938500     -0.1692000    
 C    3.276400      -1.174800      0.3870000    
 C   -3.919400      0.6574000      8.3300002E-02
 C   -4.152500       1.818300     -0.8426000    
 C    4.399900     -0.3303000     -0.2209000    
 C   -3.464200       3.106100     -0.3704000    
 C   -1.953400       2.947100     -0.1759000    
 C   -1.275400       4.207600      0.3708000    
 C    5.795900     -0.7632000      0.2255000    
 C   0.2427000       4.075900      0.4997000    
 C   0.8641000       5.348400       1.055700    
 C    6.875500      0.1012000     -0.3851000    
 H   -1.461400      -2.344200       1.764500    
 H   -3.483200      -1.403100       1.622400    
 H  -0.6502000      -1.403000      -1.032900    
 H  -0.7735000     -0.2674000      0.3190000    
 H   0.8236000      -1.621200       1.646600    
 H    1.003500      -2.755000      0.3106000    
 H   -5.000600      -2.881900      0.1071000    
 H    1.653900      0.2265000      0.1843000    
 H    1.804900     -0.9004000      -1.160400    
 H   -3.097600     -0.6298000      -1.350200    
 H   -3.515100      -4.896300     -0.5279000    
 H    3.326900      -1.091300       1.480200    
 H    3.465600      -2.229400      0.1492000    
 H   -4.215600      0.7885000       1.121500    
 H   -3.821800       1.587500      -1.862000    
 H    4.335700     -0.3847000      -1.315000    
 H    4.238900      0.7222000      4.4900000E-02
 H   -3.665500       3.906900      -1.093600    
 H   -3.921700       3.441600      0.5703000    
 H   -1.743400       2.126800      0.5197000    
 H   -1.496100       2.675700      -1.135400    
 H   -1.507300       5.052400     -0.2900000    
 H   -1.704500       4.446800       1.351800    
 H    5.976600      -1.800500     -7.6300003E-02
 H    5.874100     -0.6887000       1.315700    
 H   0.6809000       3.857200     -0.4808000    
 H   0.4873000       3.235600       1.159500    
 H   -5.991300       1.278500      -1.239400    
 H   0.6622000       6.202200      0.4009000    
 H   0.4682000       5.576200       2.050400    
 H    1.949400       5.234100       1.140000    
 H    8.816700      0.2812000     -0.3547000    


%chk=000004952-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004952

0 1
O -0.904522 -4.200388 -0.908011
O -5.623877 2.335457 -0.205140
O 8.006567 0.153344 0.448913
O 6.510978 1.752480 -0.320433
C -1.812370 -2.361669 0.542706
C -3.302038 -1.850051 0.626674
C -0.733661 -1.319122 0.163732
C 0.708432 -1.769862 0.489750
C -1.884687 -3.599360 -0.388340
C -4.105773 -3.010739 0.039899
C 1.752607 -0.687959 0.135594
C -3.573787 -0.578332 -0.165225
C -3.319921 -3.958354 -0.548826
C 3.200225 -1.106099 0.476173
C -3.988145 0.597888 0.374317
C -4.231872 1.861358 -0.421755
C 4.236004 -0.016361 0.123524
C -3.333310 3.037696 0.005318
C -1.844136 2.831264 -0.346170
C -0.948486 4.005276 0.108669
C 5.674239 -0.449470 0.464388
C 0.543758 3.797385 -0.238044
C 1.441483 4.963154 0.229303
C 6.710705 0.609723 0.146204
H -1.552253 -2.761955 1.547550
H -3.594020 -1.665033 1.678987
H -0.807112 -1.078851 -0.915743
H -0.951254 -0.376981 0.706631
H 0.779489 -2.007781 1.572985
H 0.929406 -2.705699 -0.056148
H -5.200836 -3.014653 0.066248
H 1.508268 0.254350 0.671653
H 1.685511 -0.454740 -0.947560
H -3.400677 -0.642670 -1.250813
H -3.647352 -4.853281 -1.083477
H 3.266076 -1.345690 1.558491
H 3.443897 -2.043519 -0.065831
H -4.169914 0.682148 1.457299
H -4.071420 1.649989 -1.502754
H 4.171576 0.228341 -0.954160
H 3.996898 0.920178 0.663427
H -3.718645 3.947088 -0.495665
H -3.453386 3.198217 1.095095
H -1.476611 1.893449 0.117816
H -1.736751 2.697582 -1.443315
H -1.305927 4.946361 -0.359165
H -1.053415 4.144888 1.205086
H 5.953460 -1.372440 -0.080870
H 5.769560 -0.701906 1.539287
H 0.648540 3.665533 -1.334441
H 0.896630 2.850371 0.221375
H -6.242198 1.582383 -0.390293
H 1.130611 5.915337 -0.240841
H 1.379963 5.096202 1.326093
H 2.501184 4.787382 -0.031194
H 8.661988 0.870845 0.230827


