%chk=000041771.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041771

0 1
 O    1.106300     -0.7097000      0.3665000    
 O    3.102900      -1.866300      0.4885000    
 C   -3.424900      -1.209500     -9.7400002E-02
 C   -3.701600      0.2642000     -0.4231000    
 C   -1.965800      -1.597000     -0.2162000    
 C   -2.970700       1.205800      0.4936000    
 C   -1.070600      -1.543100      0.7894000    
 C   -1.529700      -2.036800      -1.590500    
 C   -1.988900       2.073200      0.1832000    
 C   0.3866000      -1.876100      0.7428000    
 C   -1.369300       2.934200       1.251800    
 C   -1.426900       2.294200      -1.192200    
 C    2.461000     -0.8494000      0.2780000    
 C    3.029900      0.4562000     -0.1204000    
 C    4.353300      0.5893000     -0.2773000    
 C    5.008400       1.870700     -0.6768000    
 H   -3.769500      -1.421500      0.9239000    
 H   -4.030600      -1.850500     -0.7500000    
 H   -4.776600      0.4508000     -0.3069000    
 H   -3.481900      0.4544000      -1.477100    
 H   -3.293400       1.151400       1.533100    
 H   -1.425500      -1.197700       1.759500    
 H   -1.888700      -1.325000      -2.342000    
 H   -1.957300      -3.018200      -1.820800    
 H  -0.4472000      -2.099000      -1.722500    
 H   0.5975000      -2.700100      5.2800000E-02
 H   0.7049000      -2.195200       1.742700    
 H   -1.508000       3.993700       1.012900    
 H   -1.808300       2.756300       2.239200    
 H  -0.2957000       2.731200       1.325200    
 H  -0.3431000       2.134600      -1.182600    
 H   -1.839400       1.626200      -1.950200    
 H   -1.619600       3.322200      -1.516400    
 H    2.354000       1.289800     -0.2788000    
 H    5.017400     -0.2555000     -0.1147000    
 H    5.716500       2.183900      9.6600004E-02
 H    4.284800       2.678800     -0.8241000    
 H    5.559500       1.731600      -1.611900    


%chk=000041771-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041771

0 1
O 1.320147 -1.117218 -0.751092
O 2.160518 -1.037837 1.434061
C -3.243865 -1.149749 0.496737
C -3.560386 0.348022 0.140581
C -2.062854 -1.712780 -0.284238
C -2.534047 1.315321 0.694836
C -0.831914 -1.797414 0.301641
C -2.371799 -2.127797 -1.711832
C -1.516322 1.932493 0.027349
C 0.437771 -2.280628 -0.341162
C -0.546844 2.848452 0.757713
C -1.226657 1.758115 -1.453095
C 2.132188 -0.585660 0.259961
C 2.926083 0.548180 -0.271819
C 3.801331 1.226710 0.521477
C 4.655931 2.384406 0.081459
H -3.049008 -1.216159 1.583611
H -4.151782 -1.752417 0.287468
H -4.554386 0.587592 0.568767
H -3.660313 0.449954 -0.956139
H -2.616252 1.503555 1.777331
H -0.721130 -1.461154 1.340805
H -2.902352 -1.316151 -2.246375
H -3.048690 -3.004987 -1.722239
H -1.475036 -2.381019 -2.299491
H 0.279097 -2.815331 -1.288903
H 1.025687 -2.900685 0.358514
H -0.565651 3.871386 0.330645
H -0.780894 2.920691 1.834215
H 0.493990 2.479919 0.656576
H -0.282409 1.194608 -1.591485
H -2.019666 1.208793 -1.986671
H -1.096824 2.741521 -1.946443
H 2.776912 0.803858 -1.326471
H 3.889570 0.898896 1.568448
H 4.445038 3.281858 0.695497
H 4.495120 2.641159 -0.979288
H 5.729498 2.153598 0.226851


