%chk=000104022.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104022

0 1
 O   -2.131600     -0.8561000     -0.8474000    
 O    3.129300     -0.9074000      0.8002000    
 O   -2.034900       4.659900     -0.9071000    
 O   -4.286100      -1.378600     -0.4561000    
 O   -2.631700       3.720500       1.072900    
 O    5.289000     -0.4085000      0.3997000    
 O   -2.718400      -1.916300       1.146000    
 O    3.719200      0.1534000      -1.191900    
 C   -1.178100       1.380300      0.6522000    
 C  -0.3184000      0.2110000      0.3012000    
 C   -1.152800       2.498900     -0.3952000    
 C  -0.8331000     -0.8562000     -0.4347000    
 C    1.013100      0.1941000      0.7163000    
 C    1.830000     -0.8900000      0.3953000    
 C  -1.6300000E-02  -1.940500     -0.7556000    
 C    1.315200      -1.957300     -0.3407000    
 C   -2.007100       3.672000      2.0900000E-02
 C   -3.026700      -1.436800      6.2199999E-02
 C    4.027600     -0.3341000     -0.1117000    
 C   -5.317900      -1.936200      0.3642000    
 C    6.322800      0.1410000     -0.4236000    
 C   -6.645700      -1.793800     -0.3488000    
 C    7.652600     -1.9200001E-02  0.2819000    
 H   -2.212100       1.063600      0.8342000    
 H  -0.8500000       1.784600       1.620300    
 H   -1.530300       2.123000      -1.352800    
 H  -0.1275000       2.858300     -0.5388000    
 H    1.421700       1.023500       1.288700    
 H  -0.4102000      -2.775200      -1.329000    
 H    1.945900      -2.805300     -0.5936000    
 H   -5.352200      -1.402600       1.320700    
 H   -5.107200      -2.996000      0.5461000    
 H   -2.603800       5.408700     -0.6281000    
 H    6.123000       1.203900     -0.5999000    
 H    6.346300     -0.3887000      -1.382500    
 H   -6.861900     -0.7402000     -0.5540000    
 H   -6.620900      -2.307200      -1.315800    
 H   -7.459000      -2.210800      0.2518000    
 H    7.638500      0.4903000       1.251100    
 H    7.858100      -1.076000      0.4814000    
 H    8.467200      0.3913000     -0.3211000    


%chk=000104022-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104022

0 1
O -2.186165 -1.047515 -0.872446
O 3.425590 -1.047135 -0.333495
O -2.831837 4.095376 -1.394484
O -4.302525 -1.245104 -0.218409
O -3.193603 3.226524 0.726948
O 5.538194 -0.539414 0.059834
O -2.623325 -1.583377 1.390270
O 3.932534 1.090838 0.567242
C -1.009258 1.326645 0.372494
C -0.172153 0.142061 -0.079123
C -1.637760 2.082253 -0.826172
C -0.764650 -1.010149 -0.648950
C 1.239728 0.167931 0.042904
C 2.001507 -0.934036 -0.405296
C -0.007452 -2.104549 -1.101263
C 1.394146 -2.071413 -0.978536
C -2.612338 3.151930 -0.378639
C -3.005458 -1.322641 0.233000
C 4.257290 -0.040286 0.144841
C -5.349351 -1.488682 0.830575
C 6.611035 0.396744 0.532880
C -6.696127 -1.350717 0.132568
C 7.932241 -0.339623 0.352072
H -1.817146 1.000373 1.051909
H -0.380582 2.023083 0.954487
H -2.198424 1.374381 -1.467912
H -0.866194 2.542370 -1.467564
H 1.732468 1.038862 0.478031
H -0.515141 -2.966871 -1.542275
H 2.020496 -2.902172 -1.313115
H -5.207699 -0.744622 1.634625
H -5.186774 -2.497453 1.250575
H -3.502436 4.761832 -1.080664
H 6.405376 0.651332 1.588126
H 6.552175 1.321438 -0.068902
H -6.818327 -0.339828 -0.291315
H -6.795967 -2.086814 -0.682912
H -7.509426 -1.523723 0.860550
H 7.950358 -1.269043 0.945728
H 8.098004 -0.598712 -0.707184
H 8.764575 0.305206 0.687897


