%chk=000031048.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031048

0 1
 O   0.4575000      -2.759100     -0.1235000    
 O   -4.294500      -1.043200     -0.8807000    
 C   0.5661000     -0.3139000      2.4300000E-02
 C  -0.3287000      0.9640000     -8.3800003E-02
 C   -1.626100      0.8774000      0.7752000    
 C    1.910500     -0.1627000     -0.8149000    
 C   -2.416400     -0.4412000      0.6179000    
 C    2.654900       1.146400     -0.3834000    
 C  -0.2876000      -1.560700     -0.3163000    
 C   -1.508300      -1.672100      0.5957000    
 C   0.4612000       2.230000      0.3040000    
 C   -2.662700       1.939900      0.3458000    
 C   -3.162500     -0.2079000     -0.7132000    
 C    1.756200       2.382300     -0.4801000    
 C    2.926500      -1.330700     -0.6358000    
 C   -3.583900       1.260800     -0.6719000    
 C    3.273300       1.043700       1.030500    
 C    1.601700     -0.1067000      -2.334600    
 C   -3.415400     -0.6301000       1.787100    
 C    3.489000      -1.452200      0.7753000    
 C    4.189300     -0.1642000       1.182600    
 H   0.8572000     -0.4171000       1.078000    
 H  -0.6345000       1.077300      -1.131300    
 H   -1.350900       1.030900       1.826800    
 H    3.493100       1.308400      -1.077000    
 H  -0.6008000      -1.533600      -1.364400    
 H   -2.089200      -2.560300      0.3115000    
 H   -1.151600      -1.884000       1.614300    
 H   0.6762000       2.218300       1.379000    
 H  -0.1381000       3.129500      0.1298000    
 H   -2.227600       2.850900     -7.1699999E-02
 H   -3.253200       2.250500       1.216500    
 H   -2.508900     -0.3696000      -1.576200    
 H    1.518800       2.588000      -1.530600    
 H    2.295400       3.266500     -0.1182000    
 H    3.776300      -1.164600      -1.314800    
 H    2.511100      -2.288500     -0.9576000    
 H   -4.635200       1.394500     -0.3930000    
 H   -3.463600       1.712400      -1.663400    
 H    2.494500      0.9871000       1.798400    
 H    3.849500       1.952400       1.244500    
 H   0.8825000      0.6721000      -2.598100    
 H    2.512500      9.4300002E-02  -2.911200    
 H    1.201500      -1.060500      -2.694700    
 H   -2.889100     -0.6355000       2.748800    
 H   -4.168200      0.1630000       1.834100    
 H   -3.948700      -1.583900       1.702800    
 H    4.206400      -2.280100      0.8120000    
 H    2.694200      -1.694200       1.488900    
 H    4.532700     -0.2408000       2.220400    
 H    5.083300     -2.1900000E-02  0.5628000    
 H  -9.8600000E-02  -3.503500     -0.4102000    
 H   -4.976100     -0.7826000     -0.2394000    


%chk=000031048-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031048

0 1
O 0.446402 -2.788001 -0.461225
O -4.371722 -1.143626 -0.880432
C 0.581150 -0.332703 -0.025628
C -0.310662 0.961253 -0.131447
C -1.610412 0.892740 0.735173
C 1.952717 -0.182352 -0.807338
C -2.419435 -0.437051 0.609977
C 2.685747 1.141804 -0.367034
C -0.315345 -1.516228 -0.471477
C -1.524350 -1.685078 0.469528
C 0.476328 2.239552 0.253494
C -2.648762 2.000785 0.319320
C -3.285550 -0.177911 -0.669186
C 1.788545 2.388652 -0.540360
C 2.953651 -1.361023 -0.544678
C -3.748219 1.295554 -0.537191
C 3.260805 1.072567 1.077568
C 1.699858 -0.156812 -2.342186
C -3.342783 -0.624885 1.841955
C 3.509036 -1.439697 0.893450
C 4.216300 -0.122671 1.280310
H 0.816097 -0.494918 1.048643
H -0.618216 1.066931 -1.195841
H -1.299585 1.034465 1.791223
H 3.559162 1.243146 -1.049431
H -0.666748 -1.329863 -1.510361
H -2.159517 -2.524475 0.110683
H -1.125824 -1.979108 1.461978
H 0.693717 2.211346 1.340650
H -0.158265 3.131660 0.091491
H -2.158128 2.807847 -0.251859
H -3.092769 2.475102 1.213135
H -2.665815 -0.310584 -1.573100
H 1.555031 2.544710 -1.612232
H 2.334713 3.291983 -0.201106
H 3.812797 -1.207043 -1.234466
H 2.473516 -2.313065 -0.816084
H -4.731999 1.329212 -0.028186
H -3.886074 1.766547 -1.525272
H 2.440190 0.996631 1.817574
H 3.786215 2.025684 1.291832
H 0.926140 0.569796 -2.647869
H 2.633278 0.109448 -2.874393
H 1.390399 -1.155826 -2.699468
H -2.735948 -0.697165 2.762757
H -4.045398 0.218833 1.975838
H -3.929524 -1.559619 1.760084
H 4.213336 -2.291634 0.968065
H 2.688452 -1.651157 1.607705
H 4.570835 -0.156865 2.329588
H 5.113503 0.009082 0.639956
H -0.202908 -3.528623 -0.578338
H -5.072962 -0.982144 -0.198788


