%chk=000046462.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046462

0 1
 O    3.165500     -0.6604000      4.9999999E-03
 N   -2.664800      0.6891000      0.2853000    
 C   -1.730400     -7.1800001E-02 -0.5206000    
 C   -1.852800      -1.549100     -0.1243000    
 C  -0.7185000      -2.365600     -0.7262000    
 C  -0.3210000      0.4741000     -0.3880000    
 C   0.6197000      -1.885400     -0.1732000    
 C   0.7859000     -0.3884000     -0.2553000    
 C  -9.1600001E-02   1.859100     -0.4761000    
 C    2.078900      0.1503000     -0.1530000    
 C   -2.282300      0.6287000       1.693100    
 C   -4.021600      0.1839000      9.6199997E-02
 C    1.199300       2.380900     -0.3860000    
 C    2.283700       1.527000     -0.2183000    
 C    3.549900     -0.9724000       1.341400    
 H   -1.988500      2.6400000E-02  -1.584800    
 H   -2.789400      -1.980100     -0.4979000    
 H   -1.821400      -1.736000      0.9529000    
 H  -0.7316000      -2.268200      -1.819200    
 H  -0.8522000      -3.429000     -0.4971000    
 H    1.417300      -2.391000     -0.7300000    
 H   0.7012000      -2.185900      0.8784000    
 H  -0.9191000       2.549600     -0.6219000    
 H   -1.245000      0.9083000       1.899900    
 H   -2.489000     -0.3259000       2.187400    
 H   -2.880900       1.371600       2.236800    
 H   -4.731200      0.8993000      0.5293000    
 H   -4.220200     -0.7799000      0.5779000    
 H   -4.279300      0.1117000     -0.9668000    
 H    1.356400       3.453700     -0.4494000    
 H    3.286300       1.939400     -0.1458000    
 H    3.915600     -7.3899999E-02   1.848600    
 H    4.361200      -1.704500       1.302100    
 H    2.717500      -1.404300       1.904900    


%chk=000046462-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000046462

0 1
O 3.044536 -1.070078 0.433526
N -2.800619 0.695307 0.211452
C -1.782209 -0.217849 -0.381887
C -1.944909 -1.718818 -0.008732
C -0.805672 -2.545765 -0.637872
C -0.351940 0.282930 -0.100758
C 0.553963 -2.136793 -0.034480
C 0.729081 -0.625564 0.046581
C -0.115590 1.681601 -0.031671
C 2.033110 -0.096297 0.281990
C -2.841230 0.726684 1.685289
C -4.137950 0.580001 -0.393283
C 1.179968 2.180551 0.191484
C 2.270762 1.294271 0.352383
C 4.410470 -0.597400 0.655582
H -1.936502 -0.143939 -1.481552
H -2.930692 -2.081844 -0.356769
H -1.916385 -1.838807 1.092446
H -0.795176 -2.376495 -1.734217
H -0.974068 -3.628244 -0.480975
H 1.389435 -2.569817 -0.614612
H 0.654798 -2.565905 0.984266
H -0.975256 2.350235 -0.140914
H -1.820631 0.861522 2.082530
H -3.278093 -0.192460 2.147588
H -3.452201 1.587829 2.014688
H -4.767755 1.423515 -0.053489
H -4.681606 -0.364539 -0.138139
H -4.056054 0.637815 -1.494165
H 1.351259 3.261753 0.243773
H 3.275111 1.690765 0.528497
H 4.767685 0.021590 -0.190930
H 5.022238 -1.508754 0.732537
H 4.489723 -0.015702 1.595131


