%chk=000040956.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040956

0 1
 O    2.250600      -1.647100      0.1396000    
 O   -1.690700     -0.4683000      0.3360000    
 O   6.2300000E-02  -2.294800      2.8500000E-02
 O   -1.255700       1.395200      -1.018500    
 C    2.818500      0.7064000     -8.1699997E-02
 C    3.209400     -0.6159000      0.1024000    
 C    1.403500       1.007100     -0.2353000    
 C   0.4970000      2.3300000E-02 -0.1991000    
 C    3.798800       1.701300     -0.1125000    
 C    4.548200     -0.9708000      0.2553000    
 C   0.8899000      -1.390500     -4.3000001E-03
 C    5.146000       1.360500      3.9700001E-02
 C    5.519500      2.7300000E-02  0.2230000    
 C  -0.9047000      0.4264000     -0.3639000    
 C   -3.052300     -0.1695000      0.2415000    
 C   -3.781200     -0.7236000     -0.7874000    
 C   -3.612200      0.6684000       1.180100    
 C   -5.140300     -0.4243000     -0.8824000    
 C   -4.971300      0.9675000       1.085200    
 C   -5.735300      0.4212000      5.3800002E-02
 H    1.127200       2.048100     -0.3716000    
 H    3.529700       2.745100     -0.2544000    
 H    4.836800      -2.007600      0.3979000    
 H    5.905900       2.136500      1.5100000E-02
 H    6.568000     -0.2307000      0.3406000    
 H   -3.318000      -1.382100      -1.515400    
 H   -3.017700       1.093000       1.982900    
 H   -5.735100     -0.8498000      -1.685300    
 H   -5.434600       1.625800       1.814200    
 H   -6.793500      0.6542000     -2.0099999E-02


%chk=000040956-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040956

0 1
O 2.271765 -1.515331 -0.468068
O -1.787111 -0.177062 -0.069857
O 0.062912 -2.111417 -0.625436
O -1.037567 1.974782 0.502151
C 2.991400 0.739097 0.159843
C 3.290940 -0.605602 -0.216192
C 1.608338 1.108453 0.265649
C 0.566543 0.221414 0.021671
C 4.071177 1.637878 0.408718
C 4.623206 -1.054768 -0.344172
C 0.833444 -1.178559 -0.368468
C 5.397893 1.200199 0.284248
C 5.669223 -0.146707 -0.092430
C -0.814973 0.779686 0.179837
C -3.200188 0.030923 -0.005802
C -3.929300 -1.141671 -0.306825
C -3.844713 1.248987 0.314588
C -5.337838 -1.098439 -0.287613
C -5.259340 1.267613 0.327201
C -6.008799 0.107482 0.029662
H 1.335956 2.132087 0.550607
H 3.847328 2.671132 0.697429
H 4.813060 -2.091862 -0.633938
H 6.226321 1.889068 0.475238
H 6.706954 -0.483514 -0.188189
H -3.377657 -2.054984 -0.547865
H -3.264427 2.142807 0.544196
H -5.909235 -2.003419 -0.519743
H -5.773199 2.203414 0.573158
H -7.103415 0.140613 0.044302


