%chk=000046991.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046991

0 1
 N   6.0000003E-04   3.268400     -4.1000001E-02
 C  -0.5160000      0.3652000     -0.6639000    
 C   -2.037100      -1.681900     -0.7735000    
 C   -2.704600      0.2942000      0.6728000    
 C  -0.7436000      -1.170700       1.350200    
 C   0.2133000     -0.2082000      0.5975000    
 C   -1.090000     -0.7532000      -1.565400    
 C   -1.734200       1.186700     -0.1403000    
 C   -3.218400     -0.8362000     -0.2460000    
 C   -1.287500      -2.281800      0.4355000    
 C   -1.944500     -0.3443000       1.859300    
 C   0.3933000       1.293100      -1.481900    
 C   -2.557000      -2.802100      -1.680600    
 C   -3.880800       1.128900       1.189900    
 C    1.632400     -0.7484000      0.4479000    
 C    1.021300       2.412900     -0.6463000    
 C    2.580400     -0.4777000       1.429300    
 C    1.967400      -1.508000     -0.6683000    
 C    1.928300       3.274300      -1.524000    
 C    3.877700     -0.9717000       1.292800    
 C    3.264800      -2.002000     -0.8047000    
 C   0.6143000       4.296400      0.7849000    
 C    4.219900      -1.733800      0.1760000    
 H  -0.2345000      -1.623600       2.209700    
 H   0.3410000      0.6449000       1.281900    
 H  -0.3461000      -1.325700      -2.112100    
 H   -1.672400     -0.2773000      -2.369900    
 H   -2.264500       1.675500     -0.9678000    
 H   -1.472600       1.940300      0.5955000    
 H   -3.781100     -0.4094000      -1.087200    
 H   -3.921700      -1.476100      0.3040000    
 H  -0.4641000      -2.919300      9.2799999E-02
 H   -1.959000      -2.933400       1.010300    
 H   -2.618100     -0.9917000       2.435900    
 H   -1.594900      0.4322000       2.552000    
 H  -0.1884000       1.737000      -2.302900    
 H    1.186100      0.7202000      -1.976300    
 H   -3.097500      -2.394900      -2.542100    
 H   -1.733300      -3.415600      -2.062300    
 H   -3.242300      -3.463500      -1.139000    
 H   -4.585800      0.5095000       1.755300    
 H   -3.538100       1.931500       1.852300    
 H   -4.431600       1.590600      0.3629000    
 H    1.654800       1.983700      0.1342000    
 H    2.327900      0.1117000       2.306400    
 H    1.280200      -1.793700      -1.440400    
 H    2.561900       3.949300     -0.9398000    
 H    1.355500       3.870000      -2.244200    
 H    2.612900       2.640200      -2.100000    
 H  -0.5654000       3.709500     -0.7657000    
 H    4.621100     -0.7641000       2.056900    
 H    3.529900      -2.604200      -1.669000    
 H    1.081300       5.091500      0.1961000    
 H    1.343500       3.880800       1.488300    
 H  -0.1682000       4.772800       1.385300    
 H    5.229200      -2.120600      7.1000002E-02


%chk=000046991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046991

0 1
N 0.242582 3.494970 -0.048312
C -0.637301 0.447187 -0.608072
C -2.075361 -1.693209 -0.828702
C -2.826517 0.179184 0.755686
C -0.778548 -1.223024 1.321324
C 0.143814 -0.162035 0.617581
C -1.182738 -0.657489 -1.566283
C -1.893114 1.162850 -0.009819
C -3.290374 -0.936811 -0.221386
C -1.246557 -2.318666 0.330292
C -2.015366 -0.491111 1.899639
C 0.235661 1.422864 -1.454277
C -2.553600 -2.786230 -1.806756
C -4.043343 0.937430 1.325727
C 1.569786 -0.690989 0.425752
C 1.098892 2.495462 -0.739448
C 2.533361 -0.350771 1.417631
C 1.999173 -1.546744 -0.625429
C 2.092043 3.119709 -1.764603
C 3.857338 -0.837309 1.372570
C 3.325761 -2.033157 -0.681464
C 0.935421 4.484207 0.797668
C 4.263361 -1.684409 0.315741
H -0.205747 -1.691767 2.146299
H 0.237644 0.676358 1.339899
H -0.358561 -1.177693 -2.090439
H -1.782580 -0.161998 -2.359721
H -2.466200 1.629373 -0.840620
H -1.560775 1.982827 0.653027
H -3.894971 -0.489761 -1.038712
H -3.948202 -1.653424 0.314520
H -0.377028 -2.868721 -0.080383
H -1.868483 -3.061569 0.870941
H -2.662763 -1.210723 2.442393
H -1.695250 0.277525 2.632247
H -0.431797 1.939130 -2.180522
H 0.933812 0.815547 -2.065410
H -3.134950 -2.347850 -2.641082
H -1.697576 -3.336818 -2.242757
H -3.202115 -3.522681 -1.294073
H -4.719282 0.253406 1.875135
H -3.724175 1.732872 2.026338
H -4.630394 1.414510 0.517194
H 1.701181 2.000547 0.047619
H 2.230395 0.307662 2.242573
H 1.302980 -1.845114 -1.412975
H 2.693817 3.925010 -1.305240
H 1.545355 3.546987 -2.628357
H 2.792943 2.355089 -2.148353
H -0.417750 3.935920 -0.704036
H 4.570222 -0.553959 2.155697
H 3.625208 -2.689704 -1.506947
H 1.629515 5.174117 0.260825
H 1.528990 3.952313 1.564936
H 0.187674 5.103390 1.325958
H 5.290187 -2.064508 0.271261


