%chk=000042295.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042295

0 1
 O    3.206300      -1.339600     -0.3266000    
 O   -3.149500       1.118500     -0.1315000    
 O    1.382400      -2.266700      0.8618000    
 O    4.932700     -7.0200004E-02  0.6050000    
 O   -4.936000     -0.3197000     -0.2535000    
 C   0.9379000     -0.4324000     -0.7851000    
 C    1.256600      0.7743000      0.1710000    
 C   0.5321000       2.114100     -0.1583000    
 C  -0.5671000     -0.8682000     -0.7879000    
 C   -1.399600     -0.4028000      0.4168000    
 C   -1.793800       1.074300      0.3729000    
 C  -0.9546000       1.980800     -0.5279000    
 C    2.785200      0.9885000      0.2693000    
 C    1.812700      -1.658000     -0.3545000    
 C    1.334300     -9.5100001E-02  -2.248500    
 C    3.526000     -0.3060000      0.5972000    
 C   0.6659000       3.118600       1.001100    
 C   -2.745500      -1.044500      0.4437000    
 C   -3.765700     -8.7800004E-02 -1.1300000E-02
 C   -3.060400      -2.278100      0.8465000    
 H   0.9510000      0.4815000       1.184300    
 H    1.029800       2.573000      -1.023400    
 H  -0.6166000      -1.964100     -0.8577000    
 H   -1.057100     -0.5298000      -1.711400    
 H  -0.8712000     -0.6306000       1.349200    
 H   -1.825800       1.490200       1.387900    
 H   -1.419200       2.977100     -0.5433000    
 H   -1.050200       1.656100      -1.570800    
 H    3.170700       1.404200     -0.6697000    
 H    3.035700       1.724500       1.040800    
 H    1.705900      -2.432100      -1.125300    
 H    2.401000      0.1235000      -2.354800    
 H    1.114000     -0.9394000      -2.912900    
 H   0.7831000      0.7677000      -2.633100    
 H    3.252800     -0.6326000       1.608400    
 H   0.2807000       2.701700       1.937300    
 H    1.706500       3.413500       1.161800    
 H   0.1111000       4.039200      0.7884000    
 H    1.598100      -3.212800      0.8037000    
 H   -2.290500      -2.958700       1.194700    
 H   -4.083000      -2.639700      0.8407000    
 H    5.330200     -0.7299000       1.198400    


%chk=000042295-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042295

0 1
O 3.196837 -1.404690 -0.220861
O -3.209261 1.179554 0.001265
O 1.226015 -2.064511 0.994672
O 4.945705 -0.029686 0.527904
O -5.041691 -0.249061 -0.163601
C 0.942026 -0.416150 -0.796304
C 1.259683 0.787939 0.172355
C 0.536176 2.137622 -0.152110
C -0.567975 -0.856402 -0.815923
C -1.412820 -0.442256 0.416585
C -1.764755 1.084932 0.428935
C -0.966091 1.979814 -0.524727
C 2.796824 1.011012 0.250632
C 1.763097 -1.648106 -0.308093
C 1.385167 -0.130217 -2.256900
C 3.536435 -0.253625 0.669560
C 0.685081 3.146415 1.018928
C -2.780729 -1.106791 0.412508
C -3.827454 -0.090250 0.062418
C -3.096804 -2.402721 0.655640
H 0.928454 0.471601 1.183422
H 1.033150 2.584509 -1.039000
H -0.611160 -1.959500 -0.893683
H -1.053721 -0.473523 -1.732596
H -0.853406 -0.723298 1.324147
H -1.738619 1.478224 1.461904
H -1.439397 2.979575 -0.529439
H -1.073836 1.583504 -1.549663
H 3.200764 1.339884 -0.724004
H 3.037928 1.795767 0.988266
H 1.686492 -2.474263 -1.043211
H 2.478989 -0.022917 -2.346285
H 1.078398 -0.960837 -2.920632
H 0.909380 0.789348 -2.640965
H 3.266022 -0.561099 1.703617
H 0.243783 2.748801 1.952940
H 1.739169 3.396896 1.228583
H 0.165813 4.092018 0.779183
H 1.698694 -2.887524 1.279349
H -2.336143 -3.146588 0.917009
H -4.141392 -2.729765 0.598269
H 5.432070 -0.871135 0.723305


