%chk=000122971.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122971

0 1
 O   -1.148900      0.5989000      0.4932000    
 O    2.075300     -0.3323000     -0.1164000    
 O   -1.816500       1.846500      -1.329300    
 O    3.631100      0.5893000       1.316800    
 C   2.9100001E-02  -1.529500      0.5245000    
 C  -0.8913000     -0.5634000     -0.2999000    
 C   -2.231600      -1.141700     -0.8383000    
 C    1.305700     -0.7775000      0.9936000    
 C  -0.7233000      -2.035900       1.774200    
 C   0.4946000      -2.745900     -0.2934000    
 C   -3.191100      -1.638300      0.2506000    
 C   -1.945800      -2.315900      -1.788700    
 C   -1.842400       1.596700     -0.1320000    
 C   -2.653400       2.348300      0.8973000    
 C    3.226500      0.3452000      0.1884000    
 C    3.922000      0.7450000      -1.091800    
 C   -3.441700       3.490800      0.2807000    
 C    5.201700       1.519600     -0.8292000    
 H  -0.3054000     -0.2325000      -1.169900    
 H   -2.761200     -0.3771000      -1.415700    
 H    1.928800      -1.442000       1.606900    
 H    1.034700      8.4399998E-02   1.616100    
 H   -1.364100      -2.894700       1.576600    
 H  -1.3000000E-03  -2.406200       2.514400    
 H   -1.286800      -1.245700       2.278500    
 H   0.7816000      -2.474900      -1.313800    
 H    1.390600      -3.186900      0.1643000    
 H  -0.2219000      -3.567300     -0.3052000    
 H   -3.023600      -2.670800      0.5598000    
 H   -3.217300     -0.9766000       1.119900    
 H   -4.209300      -1.635000     -0.1606000    
 H   -1.867700      -3.284500      -1.295500    
 H   -2.808200      -2.424400      -2.460600    
 H   -1.089000      -2.129500      -2.441600    
 H   -3.345500       1.646600       1.374100    
 H   -1.969200       2.747300       1.653500    
 H    3.236700       1.365800      -1.678600    
 H    4.156300     -0.1635000      -1.656500    
 H   -4.140700       3.121800     -0.4772000    
 H   -4.016500       4.016100       1.049700    
 H   -2.774900       4.213100     -0.2021000    
 H    5.911000      0.9215000     -0.2475000    
 H    5.680600       1.796000      -1.773500    
 H    4.997600       2.437100     -0.2672000    


%chk=000122971-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122971

0 1
O -1.397364 0.184802 0.591812
O 1.857682 -0.521585 0.073200
O -0.809344 1.561011 -1.202421
O 1.887429 1.644875 0.955905
C -0.113504 -1.882919 0.812625
C -0.957466 -1.033055 -0.192123
C -2.214997 -1.581049 -0.933378
C 1.106259 -1.022815 1.257997
C -0.857228 -2.231928 2.132287
C 0.399044 -3.178676 0.131694
C -3.250837 -2.335226 -0.069782
C -1.847897 -2.385821 -2.207309
C -1.259413 1.427691 -0.038531
C -1.726083 2.552360 0.869540
C 2.143169 0.853911 0.019091
C 2.744024 1.217382 -1.325364
C -0.920547 3.849164 0.643673
C 3.612533 2.489118 -1.268097
H -0.268851 -0.665238 -0.976094
H -2.708914 -0.655702 -1.297096
H 1.812727 -1.648424 1.832549
H 0.790863 -0.158665 1.866710
H -1.613386 -3.017058 1.977327
H -0.136343 -2.610888 2.882507
H -1.357179 -1.342116 2.550821
H 0.954726 -2.957935 -0.796989
H 1.084355 -3.711448 0.817612
H -0.430493 -3.865671 -0.107589
H -2.892882 -3.341091 0.216249
H -3.496452 -1.776779 0.850445
H -4.185715 -2.471345 -0.644979
H -1.402617 -3.367536 -1.973407
H -2.759131 -2.568840 -2.806418
H -1.134863 -1.827298 -2.841534
H -2.800103 2.728427 0.655252
H -1.662050 2.211463 1.916680
H 1.882906 1.375424 -2.006465
H 3.303163 0.349617 -1.716041
H -0.976514 4.162380 -0.412808
H -1.319072 4.662718 1.275171
H 0.141477 3.690162 0.898038
H 4.506546 2.336693 -0.637946
H 3.947612 2.769672 -2.282030
H 3.040028 3.330236 -0.842181


