%chk=000046276.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046276

0 1
 O    1.670100      -1.995600     -0.8488000    
 N    3.369900      0.2653000     -0.2906000    
 C    3.802900     -5.3399999E-02   1.077200    
 C    3.996800       1.504900     -0.7709000    
 C    5.321900     -0.2164000       1.151400    
 C    5.522000       1.393000     -0.7570000    
 C    6.038600       1.023400      0.6289000    
 C    1.912400      0.3713000     -0.3543000    
 C    1.251600     -0.9566000      3.5300002E-02
 C  -0.2573000     -0.8634000     -2.5599999E-02
 C  -0.8646000     -0.5040000      -1.216300    
 C  -0.9977000      -1.139600       1.110700    
 C   -3.017700     -0.6933000     -0.1372000    
 C   -4.504900     -0.6011000     -0.1970000    
 C   -2.255700     -0.4183000      -1.272600    
 C   -2.388800      -1.054100       1.054500    
 C   -5.015600      0.8038000      0.1573000    
 C   -6.542200      0.8761000      0.1318000    
 C   -7.041600       2.257900      0.5229000    
 H    3.405400      -1.008900       1.427200    
 H    3.478200      0.7214000       1.783900    
 H    3.685500       2.362500     -0.1598000    
 H    3.680900       1.707500      -1.801500    
 H    5.627900      -1.090400      0.5622000    
 H    5.624600     -0.4074000       2.187300    
 H    5.965800       2.342900      -1.075500    
 H    5.841100      0.6322000      -1.480700    
 H    5.870700       1.860700       1.317300    
 H    7.119000      0.8468000      0.5932000    
 H    1.543600       1.182900      0.2873000    
 H    1.645000      0.6246000      -1.387400    
 H    1.511300      -1.268500       1.049700    
 H  -0.2905000     -0.3008000      -2.115100    
 H  -0.5217000      -1.420800       2.045500    
 H   -4.854400     -0.8804000      -1.199400    
 H   -4.947400      -1.339600      0.4843000    
 H    2.641200      -2.032100     -0.8155000    
 H   -2.734100     -0.1376000      -2.207300    
 H   -2.971400      -1.268800       1.946600    
 H   -4.601400       1.537200     -0.5462000    
 H   -4.654300       1.086200       1.154500    
 H   -6.908900      0.6294000     -0.8712000    
 H   -6.961400      0.1352000      0.8224000    
 H   -6.664400       3.020600     -0.1658000    
 H   -6.719400       2.519600       1.535800    
 H   -8.135400       2.287100      0.4963000    


%chk=000046276-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046276

0 1
O 1.827635 -1.424209 -1.178554
N 3.322633 0.377198 0.107237
C 4.175810 -0.285919 1.133740
C 3.842010 1.722783 -0.262525
C 5.628018 -0.431987 0.637589
C 5.284574 1.628967 -0.799244
C 6.210942 0.940219 0.229447
C 1.877852 0.372512 0.460326
C 1.275618 -1.030693 0.113964
C -0.244428 -0.983457 0.069532
C -0.936179 -0.930945 -1.163616
C -0.992338 -0.963514 1.273201
C -3.103140 -0.812177 0.011367
C -4.618596 -0.680302 -0.020496
C -2.345557 -0.847414 -1.187835
C -2.401026 -0.875121 1.242909
C -5.096364 0.799156 -0.016051
C -6.635605 0.931029 -0.047279
C -7.111993 2.399787 -0.042657
H 3.748547 -1.280825 1.353461
H 4.162748 0.301896 2.086332
H 3.822024 2.411585 0.619615
H 3.172583 2.149241 -1.031855
H 5.641371 -1.115980 -0.233220
H 6.241000 -0.896213 1.433607
H 5.652117 2.645295 -1.037770
H 5.278410 1.046406 -1.741161
H 6.302935 1.583224 1.129517
H 7.228958 0.820433 -0.186261
H 1.686653 0.627503 1.527453
H 1.369974 1.125652 -0.169242
H 1.588815 -1.762255 0.893628
H -0.351517 -0.984237 -2.086869
H -0.474049 -1.032409 2.238934
H -5.023469 -1.177845 -0.924167
H -5.063610 -1.195861 0.853900
H 2.710721 -0.929443 -1.200277
H -2.869480 -0.821644 -2.152155
H -2.965827 -0.868075 2.183964
H -4.659353 1.325239 -0.888865
H -4.697183 1.308041 0.884754
H -7.027247 0.415571 -0.948236
H -7.064890 0.397831 0.825855
H -6.721268 2.945550 -0.922205
H -6.757926 2.928136 0.862721
H -8.215298 2.468670 -0.064719


