%chk=000046264.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046264

0 1
 O  -0.9824000      -2.150000     -0.5991000    
 N    1.279600     -8.1699997E-02 -0.3210000    
 C  -3.8500000E-02 -8.5900001E-02  0.3274000    
 C   -1.076300     -0.7263000     -0.6288000    
 C    1.336100      0.9600000      -1.342600    
 C    1.560000      -1.391300     -0.9027000    
 C   6.2399998E-02 -0.8011000       1.689700    
 C    1.538100       2.328600     -0.6944000    
 C    3.065600      -1.582400      -1.078700    
 C   -2.496100     -0.2824000     -0.3274000    
 C    1.085000     -0.1667000       2.626500    
 C    2.829800       2.367600      0.1230000    
 C    3.797100      -1.469300      0.2593000    
 C   -3.277000      -1.006900      0.5733000    
 C   -3.020000      0.8504000     -0.9505000    
 C    3.056200       3.737600      0.7425000    
 C    5.292200      -1.693400      9.7900003E-02
 C   -4.581700     -0.5989000      0.8506000    
 C   -4.324700       1.258400     -0.6729000    
 C   -5.105500      0.5336000      0.2276000    
 H  -0.3499000      0.9406000      0.5509000    
 H  -0.9081000     -0.4517000      -1.675100    
 H   0.4586000      0.9995000      -1.995400    
 H    2.186800      0.8075000      -2.017000    
 H    1.084300      -1.540200      -1.880300    
 H    1.267300      -2.217900     -0.2483000    
 H   0.2894000      -1.868000       1.595800    
 H  -0.9122000     -0.7453000       2.188700    
 H   0.6863000       2.623200     -7.2999999E-02
 H    1.600400       3.079700      -1.492400    
 H    3.484600     -0.8695000      -1.796900    
 H    3.242600      -2.579500      -1.501900    
 H   0.9142000      0.9100000       2.725500    
 H   0.9996000     -0.6115000       3.623600    
 H    2.108800     -0.3283000       2.288500    
 H    2.796900       1.640100      0.9381000    
 H    3.686200       2.112800     -0.5120000    
 H    3.664200     -0.4754000      0.6919000    
 H    3.398300      -2.200000      0.9723000    
 H   -1.700800      -2.512600      -1.145200    
 H   -2.889600      -1.889500       1.074700    
 H   -2.420700       1.425500      -1.651200    
 H    2.234600       4.004700       1.414800    
 H    3.984700       3.743100       1.322200    
 H    3.133600       4.509400     -2.9899999E-02
 H    5.729000     -0.9531000     -0.5800000    
 H    5.795700      -1.606200       1.065800    
 H    5.498000      -2.690900     -0.3033000    
 H   -5.189300      -1.162200       1.552800    
 H   -4.732400       2.141000      -1.157100    
 H   -6.121100      0.8517000      0.4441000    


%chk=000046264-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046264

0 1
O -1.131981 -2.301023 -0.605058
N 1.227829 -0.145582 -0.519418
C -0.085364 -0.214375 0.178694
C -1.243880 -0.833284 -0.696518
C 1.335429 0.996300 -1.464273
C 1.746800 -1.425687 -1.077412
C 0.015928 -0.886276 1.569946
C 1.605878 2.356008 -0.777960
C 3.289912 -1.522628 -1.039512
C -2.628151 -0.343187 -0.280384
C 0.789833 -0.018579 2.582879
C 2.999872 2.442781 -0.119438
C 3.863741 -1.665652 0.387199
C -3.446808 -1.098395 0.597670
C -3.108691 0.901997 -0.762847
C 3.227329 3.772373 0.630288
C 5.406738 -1.681588 0.417972
C -4.716690 -0.615931 0.987194
C -4.375624 1.386810 -0.371741
C -5.185763 0.628272 0.506359
H -0.390469 0.836975 0.351606
H -1.064672 -0.513042 -1.748567
H 0.419881 1.084223 -2.104680
H 2.171265 0.784824 -2.157734
H 1.396319 -1.573782 -2.128366
H 1.311971 -2.257829 -0.498767
H 0.493850 -1.877289 1.469185
H -1.007462 -1.074585 1.946020
H 0.827663 2.555535 -0.013076
H 1.505194 3.158366 -1.539213
H 3.737590 -0.629782 -1.523661
H 3.599343 -2.396247 -1.651288
H 0.258808 0.932630 2.780604
H 0.911804 -0.543506 3.548278
H 1.792780 0.227364 2.191868
H 3.113067 1.588890 0.575211
H 3.778631 2.318656 -0.900647
H 3.481013 -0.831142 1.005024
H 3.472599 -2.598688 0.843183
H -1.830987 -2.707093 -1.178184
H -3.079585 -2.061407 0.969557
H -2.489642 1.491386 -1.452632
H 2.489554 3.897355 1.445658
H 4.236565 3.816053 1.079808
H 3.123143 4.638918 -0.050692
H 5.820266 -0.740339 0.007897
H 5.790077 -1.797116 1.448807
H 5.810328 -2.515698 -0.187679
H -5.339715 -1.209458 1.666209
H -4.734611 2.348993 -0.754614
H -6.171003 1.001383 0.807643


