%chk=000046299.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046299

0 1
 N    1.945700       1.370100      0.1106000    
 N    1.375400       2.308300     -0.7959000    
 C    1.433100      3.8400002E-02 -0.2381000    
 C    2.159400      -1.037000      0.5956000    
 C  -7.8199998E-02 -1.4000000E-03 -0.1031000    
 C    1.758500      -2.457200      0.2134000    
 C  -0.8098000     -0.7842000     -0.9759000    
 C  -0.6834000      0.7466000      0.8890000    
 C   -2.198700     -0.8203000     -0.8518000    
 C   -2.072200      0.7101000       1.013300    
 C   -2.829900     -7.3399998E-02  0.1429000    
 H    1.690800     -0.1515000      -1.291500    
 H    3.243300     -0.9367000      0.4543000    
 H    1.962800     -0.8904000       1.665300    
 H    2.960600       1.386400      1.6200000E-02
 H    1.876600      -2.628000     -0.8612000    
 H   0.7254000      -2.678100      0.4967000    
 H    2.397200      -3.175400      0.7383000    
 H  -0.3297000      -1.366600      -1.756500    
 H  -0.1220000       1.343900       1.601000    
 H   -2.788800      -1.429900      -1.529900    
 H   -2.563600       1.286400       1.791800    
 H   -3.911200     -0.1029000      0.2404000    
 H    1.655100       3.247700     -0.5168000    
 H    1.767000       2.166300      -1.726600    


%chk=000046299-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046299

0 1
N 2.050388 1.356073 0.012116
N 1.719571 2.422886 -0.887456
C 1.494006 0.013296 -0.307482
C 2.165147 -1.020500 0.641958
C -0.029578 0.019566 -0.160923
C 1.826548 -2.485557 0.300914
C -0.858144 -0.635546 -1.103797
C -0.633869 0.661574 0.950664
C -2.262744 -0.663481 -0.937004
C -2.035273 0.639345 1.119009
C -2.855975 -0.026297 0.176588
H 1.734195 -0.287003 -1.361555
H 3.265799 -0.878207 0.591279
H 1.858972 -0.787496 1.679364
H 3.067433 1.331278 0.158490
H 2.169987 -2.750230 -0.717169
H 0.737732 -2.663658 0.348161
H 2.315951 -3.175806 1.011581
H -0.402374 -1.124851 -1.974298
H 0.012228 1.187800 1.663142
H -2.890902 -1.175229 -1.675239
H -2.490137 1.140853 1.981242
H -3.944120 -0.042551 0.306244
H 0.838524 2.868538 -0.609972
H 1.710034 2.146402 -1.884356


