%chk=000046181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046181

0 1
 O    1.647700       2.029800      -2.152700    
 O  -0.6253000      0.6468000      -1.270400    
 O   -6.014600     -0.2716000       1.140900    
 N    3.275200     -0.2446000      0.2739000    
 C    4.626000     -0.8087000      0.3176000    
 C    2.972300      0.4421000       1.531500    
 C    3.134000      0.6645000     -0.8553000    
 C    1.700600       1.180200      -1.003100    
 C    4.918000      -1.582700     -0.9648000    
 C    4.761800      -1.707300       1.542800    
 C    1.541100      0.9715000       1.513700    
 C    3.972500       1.573700       1.745800    
 C   0.6714000      6.5200001E-02  -1.174700    
 C   -1.673600     -0.1098000     -0.8195000    
 C   -2.798400      0.5154000     -0.2918000    
 C   -1.603800      -1.497000     -0.8922000    
 C   -3.865700     -0.2556000      0.1684000    
 C   -2.671200      -2.268000     -0.4321000    
 C   -3.802100      -1.647400      9.8300003E-02
 C   -5.044900      0.3913000      0.7219000    
 C   -5.121000       1.912200      0.8016000    
 H    5.406600     -4.0500000E-02  0.3672000    
 H    3.009200     -0.2478000       2.380800    
 H    3.853800       1.491200     -0.8674000    
 H    3.328200      0.1389000      -1.798200    
 H    1.372900       1.940900     -0.3226000    
 H    5.101400     -0.9260000      -1.821100    
 H    5.826800      -2.185400     -0.8511000    
 H    4.104300      -2.272300      -1.217200    
 H    4.871800      -1.148400       2.477400    
 H    5.667300      -2.321300       1.463700    
 H    3.918900      -2.401800       1.637900    
 H    1.267800      0.9424000       2.587400    
 H    1.432600       2.054500       1.395200    
 H   0.7402000      0.3348000       1.160800    
 H    5.006100       1.246200       1.880300    
 H    3.718800       2.081900       2.686300    
 H    3.941700       2.358200      0.9849000    
 H   0.8582000     -0.4241000      -2.140600    
 H   0.7503000     -0.7140000     -0.4121000    
 H    2.317300       2.726800      -2.043200    
 H   -2.810300       1.600400     -0.2533000    
 H  -0.7600000      -2.020400      -1.331100    
 H   -2.625600      -3.351400     -0.4944000    
 H   -4.621300      -2.269600      0.4486000    
 H   -5.068700       2.346500     -0.2000000    
 H   -4.324200       2.297700       1.442900    
 H   -6.080000       2.199600       1.244700    


%chk=000046181-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046181

0 1
O 1.491801 2.178404 -2.083752
O -0.670333 0.720149 -0.584162
O -6.467821 -0.929657 0.026635
N 3.378542 0.206852 0.587555
C 4.189091 -1.009888 0.218815
C 3.838934 0.925779 1.824539
C 3.109015 1.104084 -0.567410
C 1.610926 1.473062 -0.790507
C 3.418041 -1.909300 -0.778543
C 4.554066 -1.867939 1.452204
C 2.811961 1.983955 2.280484
C 5.259413 1.553653 1.708822
C 0.702349 0.257623 -0.868641
C -1.692666 -0.234498 -0.600604
C -2.988088 0.261375 -0.314492
C -1.504444 -1.613119 -0.874570
C -4.099549 -0.613091 -0.295014
C -2.622649 -2.482003 -0.855278
C -3.910864 -1.998110 -0.568472
C -5.490259 -0.124498 0.009614
C -5.706469 1.357960 0.299834
H 5.145610 -0.700008 -0.275449
H 3.871565 0.162653 2.622251
H 3.668288 2.062563 -0.480247
H 3.464247 0.641396 -1.506339
H 1.246902 2.117238 0.033353
H 3.094397 -1.369762 -1.685208
H 4.065960 -2.743430 -1.104934
H 2.522453 -2.336148 -0.290352
H 5.274191 -1.374600 2.126771
H 5.017263 -2.811187 1.111038
H 3.644937 -2.123104 2.027834
H 3.096773 2.373773 3.274854
H 2.770290 2.847685 1.591055
H 1.802682 1.542735 2.356220
H 6.016260 0.798421 1.429117
H 5.563000 1.994902 2.676117
H 5.287675 2.359966 0.952303
H 0.749747 -0.187207 -1.882696
H 1.016868 -0.477094 -0.104088
H 1.816508 3.107841 -1.982273
H -3.091866 1.331666 -0.113150
H -0.511873 -2.013022 -1.100606
H -2.473157 -3.546316 -1.068331
H -4.784682 -2.656163 -0.548146
H -5.386299 1.981182 -0.555769
H -5.119377 1.679466 1.180277
H -6.775256 1.532763 0.494942


