%chk=000046902.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046902

2 1
 O  -0.1654000      0.2785000     -0.6164000    
 N    3.558400      4.5400001E-02 -0.6823000    
 N   -3.613600     -0.7555000      0.2261000    
 C    2.183900      0.6425000     -0.9474000    
 C   -2.545700      7.5800002E-02 -0.3845000    
 C    3.794800     -3.7000000E-02  0.8188000    
 C   -4.997800     -0.1529000     -4.9899999E-02
 C    1.123100     -0.2547000     -0.3411000    
 C   -1.194200     -0.5324000     -6.5300003E-02
 C    3.630000      -1.350400      -1.284500    
 C    4.625000      0.9268000      -1.316200    
 C   -3.590000      -2.179200     -0.3465000    
 C   -3.428100     -0.8491000       1.746700    
 C    5.241000     -0.1505000       1.172700    
 C   -5.136900       1.241100      0.4669000    
 C    5.901700      0.7488000       1.910100    
 C   -5.386400       2.302800     -0.3073000    
 H    2.049900      0.7335000      -2.032300    
 H    2.152600       1.652400     -0.5210000    
 H   -2.590200       1.095700      1.3900000E-02
 H   -2.709900      0.1323000      -1.467500    
 H    3.259700     -0.9067000       1.215700    
 H    3.363800      0.8671000       1.267100    
 H   -5.745200     -0.8017000      0.4222000    
 H   -5.148600     -0.1987000      -1.135700    
 H    1.229400     -0.3251000      0.7456000    
 H    1.149300      -1.261000     -0.7672000    
 H   -1.089600      -1.530500     -0.5000000    
 H   -1.016400     -0.5913000       1.012100    
 H    3.056900      -2.058500     -0.6808000    
 H    3.254000      -1.308200      -2.311300    
 H    4.676700      -1.671000      -1.294700    
 H    4.629700       1.895200     -0.8063000    
 H    5.602700      0.4393000      -1.263600    
 H    4.361100       1.067300      -2.369600    
 H   -3.583800      -2.112800      -1.438400    
 H   -2.715400      -2.719000      2.4000000E-02
 H   -4.492400      -2.696800     -5.5000000E-03
 H   -3.193200      0.1420000       2.145000    
 H   -4.355400      -1.231300       2.185700    
 H   -2.623800      -1.554000       1.975100    
 H    5.777300      -1.033900      0.8361000    
 H   -5.076400       1.398600       1.540300    
 H    6.949800      0.6014000       2.146600    
 H    5.415800       1.641800       2.287000    
 H   -5.498800       3.288300      0.1311000    
 H   -5.480300       2.210400      -1.383600    


%chk=000046902-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046902

2 1
O -0.174041 -0.133866 -0.278742
N 3.593102 0.155170 -0.612315
N -3.860046 -0.868718 0.204239
C 2.077625 0.430533 -0.636442
C -2.523475 -0.227327 -0.202379
C 4.117781 0.162985 0.873262
C -5.028490 0.060579 -0.321062
C 1.176503 -0.636781 0.016605
C -1.255829 -0.961999 0.276436
C 3.923295 -1.177101 -1.284628
C 4.276102 1.280975 -1.395892
C -4.038567 -2.237379 -0.452494
C -3.972322 -1.013622 1.721450
C 5.595597 -0.102003 1.002907
C -5.080308 1.420627 0.323856
C 6.476471 0.828475 1.451571
C -4.869207 2.571216 -0.365370
H 1.784861 0.535484 -1.695229
H 1.915095 1.400233 -0.136643
H -2.526550 0.800752 0.195094
H -2.513638 -0.170802 -1.304382
H 3.532052 -0.614003 1.395369
H 3.847420 1.153576 1.277302
H -5.951202 -0.513979 -0.121627
H -4.882486 0.133740 -1.412145
H 1.326399 -0.706437 1.113131
H 1.315758 -1.640499 -0.434423
H -1.186713 -1.994735 -0.123386
H -1.181199 -0.994231 1.382483
H 3.602715 -2.011101 -0.643195
H 3.408485 -1.223680 -2.256772
H 5.009305 -1.235317 -1.443045
H 3.987220 2.250449 -0.961673
H 5.365425 1.153412 -1.323535
H 3.956544 1.229195 -2.448059
H -3.966348 -2.126853 -1.545295
H -3.265398 -2.931294 -0.091656
H -5.030507 -2.632763 -0.185905
H -3.723296 -0.055530 2.199228
H -5.005032 -1.299255 1.974110
H -3.285342 -1.799733 2.068122
H 5.943331 -1.125565 0.812216
H -5.411807 1.471794 1.368882
H 7.532083 0.580770 1.603268
H 6.174956 1.853084 1.704369
H -5.001070 3.548335 0.110714
H -4.596149 2.577987 -1.428420


