%chk=000004629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004629

1 1
 O   -3.100500       1.696100     -0.8117000    
 N    3.378500     -0.2622000     -0.1961000    
 N   -2.056700      8.5100003E-02  0.5510000    
 C   -2.086100      -1.351700      0.6891000    
 C   -3.417100      -1.729700      7.0799999E-02
 C   -3.645000     -0.6594000     -0.9900000    
 C    2.549600      0.9322000     -0.6462000    
 C   -2.936600      0.5490000     -0.4242000    
 C    2.642100      -1.549100     -0.5396000    
 C    4.724000     -0.2424000     -0.9070000    
 C    3.598300     -0.1895000       1.308000    
 C   -1.100400      0.8966000       1.272200    
 C    1.257000      0.9175000      3.3500001E-02
 C   0.1928000      0.9075000      0.5903000    
 H   -2.023400      -1.643600       1.741200    
 H   -1.243800      -1.774000      0.1315000    
 H   -4.209000      -1.665900      0.8277000    
 H   -3.424000      -2.744100     -0.3374000    
 H   -4.707700     -0.4564000      -1.141700    
 H   -3.173500     -0.9306000      -1.939800    
 H    2.431300      0.8644000      -1.733400    
 H    3.116800       1.839200     -0.4089000    
 H    2.410900      -1.544400      -1.609200    
 H    3.301800      -2.390300     -0.3036000    
 H    1.729600      -1.630400      5.6899998E-02
 H    5.238400      0.6880000     -0.6485000    
 H    5.307300      -1.105800     -0.5736000    
 H    4.546500     -0.2956000      -1.985300    
 H    4.045000      0.7798000       1.549400    
 H    2.648800     -0.3239000       1.833100    
 H    4.282100     -0.9966000       1.589900    
 H   -1.490100       1.919000       1.326800    
 H   -1.013700      0.5138000       2.293900    


%chk=000004629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004629

1 1
O -2.893174 1.948898 -0.374089
N 3.676566 -0.269688 -0.154036
N -2.258138 -0.104049 0.580229
C -2.563188 -1.546194 0.485003
C -3.977667 -1.553371 -0.170191
C -4.059263 -0.212272 -0.947044
C 2.450285 0.522796 -0.730015
C -3.048506 0.704489 -0.251651
C 3.340702 -1.757260 -0.091125
C 4.868501 -0.044898 -1.079636
C 4.003589 0.244773 1.246250
C -1.158486 0.474295 1.345542
C 1.246677 0.391397 0.080196
C 0.158973 0.400312 0.665701
H -2.561386 -2.017541 1.484872
H -1.815372 -2.070397 -0.146028
H -4.748818 -1.579238 0.618140
H -4.123205 -2.433344 -0.816354
H -5.060060 0.247181 -0.935582
H -3.761485 -0.319364 -2.007186
H 2.294276 0.137557 -1.754539
H 2.779542 1.575976 -0.800293
H 3.130834 -2.121742 -1.108485
H 4.199291 -2.299826 0.333066
H 2.452248 -1.890652 0.543200
H 5.100352 1.030628 -1.117926
H 5.737198 -0.597377 -0.690970
H 4.618584 -0.409283 -2.088027
H 4.253702 1.315127 1.186691
H 3.122124 0.105122 1.888790
H 4.860314 -0.321011 1.642998
H -1.400780 1.547894 1.486419
H -1.091033 0.003660 2.345179


