%chk=000054312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054312

0 1
 O   -3.718200      -2.363200     -0.7286000    
 O   -5.056100     -0.3011000      -1.822800    
 O   -4.880900      0.9706000       1.575700    
 C   -4.646000      -1.672400      0.1154000    
 C   -3.179200      -1.769400      0.4622000    
 C   -5.177400     -0.3702000     -0.4027000    
 C   -2.311500     -0.5432000      0.2847000    
 C   -4.450000      0.8312000      0.2219000    
 C   -2.936000      0.7191000      0.1716000    
 C  -0.8916000     -0.6140000      0.2224000    
 C  -0.1198000      0.5643000      7.5400002E-02
 C   -2.167400       1.879800      3.7000000E-02
 C  -0.7721000       1.816000     -1.2900000E-02
 C    1.305500      0.5027000      1.7100001E-02
 C  -0.2022000      -1.831300      0.2997000    
 C    1.990600     -0.7371000      9.9699996E-02
 C    2.041300       1.700400     -0.1261000    
 C    1.193300      -1.890200      0.2403000    
 C  -1.7200001E-02   2.983700     -0.1532000    
 C    1.372000       2.926200     -0.2087000    
 C    3.427800     -0.7672000      3.7099998E-02
 C    3.437100       1.658500     -0.1854000    
 C    4.136100      0.4506000     -0.1066000    
 C    4.207500      -1.950200      0.1100000    
 C    5.540600      0.4590000     -0.1713000    
 C    5.603200      -1.929100      4.4300001E-02
 C    6.270500     -0.7230000     -9.6299998E-02
 H   -5.359600      -2.253900      0.6817000    
 H   -2.937800      -2.436100       1.284800    
 H   -6.246700     -0.3188000     -0.1655000    
 H   -4.756400       1.739700     -0.3115000    
 H   -2.669600       2.843600     -3.2499999E-02
 H   -5.465300      0.5321000      -2.112700    
 H  -0.7367000      -2.773000      0.4059000    
 H   -4.250200       1.544700       2.042400    
 H    1.638600      -2.879600      0.3084000    
 H  -0.5023000       3.955300     -0.2226000    
 H    1.926800       3.856000     -0.3190000    
 H    3.992800       2.590400     -0.2960000    
 H    3.740500      -2.925500      0.2206000    
 H    6.083400       1.396200     -0.2818000    
 H    6.162700      -2.858100      0.1039000    
 H    7.354600     -0.6995000     -0.1478000    


%chk=000054312-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054312

0 1
O -3.684648 -2.315181 -0.940362
O -5.412179 -0.279627 -1.769010
O -4.861410 0.874765 1.692005
C -4.618071 -1.683784 0.054250
C -3.158289 -1.740790 0.384872
C -5.268308 -0.346404 -0.311781
C -2.317458 -0.519995 0.242276
C -4.464982 0.846888 0.256065
C -2.957968 0.738394 0.116847
C -0.888785 -0.603046 0.185647
C -0.105892 0.600097 0.037006
C -2.190450 1.911644 -0.053857
C -0.775685 1.872472 -0.089765
C 1.333105 0.535898 -0.004444
C -0.183238 -1.858046 0.263214
C 2.009317 -0.724699 0.101919
C 2.098421 1.763845 -0.158467
C 1.201439 -1.911756 0.225888
C 0.014256 3.076945 -0.250333
C 1.391786 3.024119 -0.279390
C 3.462538 -0.770615 0.070213
C 3.500330 1.704813 -0.191575
C 4.203028 0.468301 -0.078322
C 4.209898 -1.988330 0.180320
C 5.638262 0.436366 -0.111714
C 5.607653 -1.991587 0.145434
C 6.332406 -0.767968 -0.002425
H -5.283007 -2.414830 0.529241
H -2.819916 -2.520247 1.077890
H -6.258338 -0.303206 0.187955
H -4.811944 1.785022 -0.228669
H -2.699575 2.878619 -0.160296
H -6.006246 0.483534 -1.988120
H -0.752676 -2.789694 0.329643
H -4.191690 1.405498 2.193761
H 1.686476 -2.890186 0.283297
H -0.509717 4.034782 -0.347837
H 1.982451 3.939852 -0.398457
H 4.075791 2.631700 -0.308364
H 3.686458 -2.941829 0.296005
H 6.181184 1.382102 -0.225668
H 6.153112 -2.937635 0.232252
H 7.427258 -0.782203 -0.028945


