%chk=000122667.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122667

0 1
 O   -1.650200       3.687500      0.1933000    
 O    1.881500       2.124800       2.373600    
 O   -2.377000       2.548100      -1.671900    
 O    3.990400      -2.342300      -1.473100    
 O    5.230100      -1.170800      0.2276000    
 O   -1.523200      -2.319200       2.319800    
 O   -4.258600      -1.518800      -1.529300    
 O   -3.861600      -2.775600      0.9061000    
 C   0.1660000       2.350200      0.7193000    
 C  -0.1550000       2.151000     -0.7461000    
 C   7.5599998E-02  0.6955000      -1.169900    
 C    1.657900       2.189700      0.9674000    
 C    1.477700      0.2509000     -0.7303000    
 C  -0.4404000       3.709700      0.9748000    
 C    2.206700      0.9400000      0.2905000    
 C   -1.525800       2.771400     -0.8269000    
 C  -0.9701000     -0.2263000     -0.6180000    
 C    2.044200     -0.8761000      -1.358100    
 C    3.496000      0.4956000      0.6402000    
 C    3.303100      -1.281300     -0.9693000    
 C    4.008700     -0.6142000      7.9999998E-04
 C   -2.141000     -0.4478000      -1.335000    
 C  -0.7610000     -0.8523000      0.6063000    
 C   -1.734100      -1.709700       1.119600    
 C   -3.114200      -1.305100     -0.8218000    
 C    5.210400      -2.267700     -0.7082000    
 C   -2.910800      -1.936300      0.4055000    
 C   -1.972000      -1.629200       3.484500    
 C   -5.353400     -0.6418000      -1.271400    
 H  -0.3954000       1.650100       1.351100    
 H   0.4965000       2.795500      -1.357300    
 H   4.6000000E-02  0.6554000      -2.268100    
 H    2.206000       3.056900      0.5799000    
 H  -0.6923000       3.859700       2.028600    
 H   0.1842000       4.540600      0.6302000    
 H    1.506600      -1.414600      -2.132300    
 H    4.083100       1.012300       1.393100    
 H    1.549900       1.268400       2.694400    
 H   -2.299200      2.2800000E-02  -2.301800    
 H   0.1316000     -0.6980000       1.203700    
 H    5.335100      -3.204800     -0.1536000    
 H    6.052300      -2.153700      -1.400500    
 H   -4.585300      -2.845600      0.2601000    
 H   -1.455500     -0.6691000       3.583600    
 H   -1.738700      -2.243700       4.358200    
 H   -3.054500      -1.471300       3.446300    
 H   -6.200800     -0.9625000      -1.883300    
 H   -5.091900      0.3851000      -1.546100    
 H   -5.646300     -0.6845000     -0.2176000    


%chk=000122667-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122667

0 1
O -1.642852 3.869666 0.032027
O 2.161558 2.462697 2.240237
O -2.383658 2.713739 -1.842170
O 4.040274 -2.336642 -1.519520
O 5.370481 -1.044242 0.006005
O -1.274839 -2.398841 2.571919
O -4.662213 -1.214074 -0.703231
O -4.042137 -2.576906 1.461482
C 0.222091 2.493628 0.668341
C -0.156986 2.189906 -0.792125
C 0.004984 0.679174 -1.105246
C 1.738875 2.361682 0.827243
C 1.453805 0.303585 -0.747733
C -0.413262 3.874847 0.902401
C 2.245112 1.069232 0.161323
C -1.512093 2.879830 -0.972135
C -1.041265 -0.204918 -0.401296
C 1.994595 -0.871552 -1.350066
C 3.581989 0.673586 0.475642
C 3.296096 -1.239553 -1.022708
C 4.077311 -0.478976 -0.124814
C -2.350232 -0.280017 -0.949576
C -0.749597 -0.915278 0.781828
C -1.728785 -1.704863 1.440650
C -3.321410 -1.049596 -0.292646
C 5.313967 -2.325414 -0.748531
C -3.032020 -1.782559 0.893501
C -2.216814 -2.672958 3.676388
C -5.113221 -0.440041 -1.865580
H -0.279467 1.749005 1.317439
H 0.539821 2.739605 -1.465790
H -0.128506 0.546057 -2.196981
H 2.239760 3.238429 0.370493
H -0.758953 4.059048 1.929232
H 0.234468 4.705791 0.566116
H 1.392590 -1.471322 -2.038300
H 4.181161 1.267896 1.169983
H 1.880021 1.635757 2.711206
H -2.592624 0.284371 -1.853447
H 0.253925 -0.906521 1.217177
H 5.306765 -3.167123 -0.031621
H 6.159152 -2.363870 -1.453095
H -4.856550 -2.458085 0.900383
H -2.680164 -1.734164 4.034943
H -1.591180 -3.111542 4.468955
H -3.006670 -3.373284 3.364965
H -6.187950 -0.653435 -1.959498
H -4.583753 -0.764440 -2.781104
H -4.950301 0.641587 -1.704067


