%chk=000013768.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013768

0 1
 O   -1.582200      0.3339000      0.2338000    
 O   0.4991000      0.4244000       1.904800    
 O  -0.3227000       1.956600     -0.7999000    
 N   -5.205900      0.6684000     -0.3520000    
 C   0.7916000      0.2140000      0.5084000    
 C    2.149300      0.8256000      0.1540000    
 C   0.7705000      -1.284400      0.1985000    
 C  -0.4028000      0.9586000     -9.3599997E-02
 C   -2.764900      0.9133000     -0.3012000    
 C   -3.961300      9.7199999E-02  0.1616000    
 C    2.584200      0.7523000      -1.149200    
 C    1.159300      -2.165600       1.181100    
 C    2.882100       1.425300       1.152000    
 C   0.3632000      -1.693200      -1.050600    
 C    3.821300       1.309800      -1.472500    
 C    1.139900      -3.531600      0.8988000    
 C    4.119200       1.982900      0.8287000    
 C   0.3437000      -3.059200      -1.332700    
 C    4.588700       1.925000     -0.4836000    
 C   0.7321000      -3.978300     -0.3578000    
 C   -5.352300       2.054900      8.9800000E-02
 C   -6.351800     -0.1299000      8.1500001E-02
 H   -2.805400       1.943700      6.4499997E-02
 H   -2.706000      0.9182000      -1.396400    
 H   -3.839700     -0.9324000     -0.1993000    
 H   -3.963600      3.5500001E-02   1.258500    
 H    2.000000      0.3029000      -1.943200    
 H    1.494200      -1.839000       2.160400    
 H    2.551100       1.488100       2.182800    
 H   5.2999999E-02 -0.9993000      -1.825000    
 H  -0.2601000     -0.1317000       2.152200    
 H    4.184600       1.270000      -2.495200    
 H    1.445600      -4.247200       1.656500    
 H    4.717300       2.462100       1.598300    
 H   2.5500000E-02  -3.407300      -2.311000    
 H    5.551300       2.360300     -0.7355000    
 H   0.7175000      -5.041800     -0.5778000    
 H   -4.672000       2.727400     -0.4416000    
 H   -5.209100       2.169900       1.170500    
 H   -6.355800       2.427200     -0.1511000    
 H   -7.280100      0.2611000     -0.3499000    
 H   -6.457500     -0.1445000       1.172500    
 H   -6.256200      -1.163400     -0.2697000    


%chk=000013768-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013768

0 1
O -1.682208 0.255664 0.284482
O 0.346243 -0.186279 1.816384
O -0.446470 0.749827 -1.623258
N -5.330200 1.082748 0.029332
C 0.688437 -0.225284 0.391774
C 1.936622 0.663814 0.199134
C 0.957081 -1.693098 -0.047541
C -0.496718 0.334118 -0.448188
C -2.930259 0.695655 -0.412385
C -4.052108 0.641877 0.631708
C 2.625630 0.684128 -1.038233
C 1.496974 -2.580227 0.917263
C 2.391688 1.478809 1.262653
C 0.722815 -2.160824 -1.364285
C 3.754245 1.514302 -1.209361
C 1.796491 -3.915033 0.570581
C 3.526661 2.303614 1.090547
C 1.019491 -3.500266 -1.706848
C 4.210757 2.327048 -0.145579
C 1.557833 -4.381800 -0.743422
C -5.446452 2.551842 -0.087394
C -6.513696 0.484669 0.680331
H -2.758840 1.708822 -0.814823
H -3.131194 0.009521 -1.252339
H -4.163371 -0.403763 0.971374
H -3.760789 1.249748 1.523959
H 2.285325 0.057137 -1.867447
H 1.669785 -2.210655 1.932450
H 1.855125 1.449726 2.213871
H 0.308455 -1.490425 -2.125376
H -0.621755 -0.392325 1.896398
H 4.277902 1.524473 -2.171859
H 2.216453 -4.590435 1.324671
H 3.873998 2.927438 1.922142
H 0.829326 -3.851842 -2.727241
H 5.089554 2.968198 -0.279206
H 1.788326 -5.419043 -1.011426
H -4.597257 2.965613 -0.657731
H -5.479652 3.067499 0.905711
H -6.370309 2.805006 -0.636664
H -7.422982 0.768836 0.120976
H -6.650826 0.807522 1.743177
H -6.435230 -0.616554 0.662086


