%chk=000046828.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046828

1 1
 N  -0.7977000     -0.5544000      0.3137000    
 C   -3.259600      0.1016000     -0.7438000    
 C  -0.8861000     -0.7536000      -1.197800    
 C   -1.958300      -1.285300      0.9949000    
 C   0.5126000      -1.211500      0.7831000    
 C  -0.7132000      0.9410000      0.6820000    
 C   -2.157700     -0.1529000      -1.775700    
 C   -3.293700      -1.019100      0.2963000    
 C    1.688500     -0.5650000      5.4400001E-02
 C   -3.109100       1.489200     -0.1083000    
 C   -2.054600       1.597100      0.9826000    
 C    1.727400      0.9509000      0.3165000    
 C    3.014300      -1.222200      0.4457000    
 C    3.118800       1.567800      0.1484000    
 C    4.187200     -0.6634000     -0.3649000    
 C    3.981200      0.7799000     -0.8272000    
 H   -4.217000      0.1066000      -1.281800    
 H  -0.8391000      -1.831900      -1.391700    
 H  -5.7599999E-02 -0.2584000      -1.704800    
 H   -1.969700     -0.9853000       2.048500    
 H   -1.743000      -2.360400      0.9607000    
 H   0.5762000      -1.090600       1.871400    
 H   0.4522000      -2.281700      0.5512000    
 H  -0.4204000       1.515100     -0.1870000    
 H  -0.2163000       1.032400       1.645000    
 H   -1.923500      0.7697000      -2.321800    
 H   -2.537200     -0.8456000      -2.538600    
 H   -3.607100      -1.945100     -0.2046000    
 H   -4.066000     -0.8195000       1.049100    
 H    1.628000     -0.7458000      -1.022500    
 H   -4.073200       1.781600      0.3284000    
 H   -2.902900       2.233300     -0.8881000    
 H   -1.885700       2.661900       1.192800    
 H   -2.467100       1.193600       1.916000    
 H    1.503100       1.247700       1.338200    
 H    1.234700       1.477700     -0.4961000    
 H    2.967000      -2.309300      0.3089000    
 H    3.202500      -1.053100       1.514200    
 H    3.628700       1.589800       1.121200    
 H    3.035800       2.613100     -0.1736000    
 H    4.361600      -1.292200      -1.246500    
 H    5.097600     -0.7325000      0.2430000    
 H    3.502600      0.7824000      -1.814700    
 H    4.954900       1.267100     -0.9529000    


%chk=000046828-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046828

1 1
N -0.865507 -0.390088 0.248838
C -3.516151 -0.188644 -0.703021
C -1.083658 -0.939849 -1.171891
C -1.915400 -1.061939 1.164374
C 0.543816 -0.835464 0.744455
C -0.974790 1.163533 0.299622
C -2.433846 -0.502785 -1.778733
C -3.331663 -1.127516 0.522037
C 1.779786 -0.177164 0.076125
C -3.519479 1.314462 -0.314321
C -2.368941 1.720324 0.633923
C 2.278953 1.126162 0.797890
C 2.931543 -1.224901 0.019276
C 3.823963 1.286410 0.752096
C 4.134656 -0.701293 -0.814695
C 4.378175 0.825076 -0.612224
H -4.503152 -0.414132 -1.145912
H -1.029023 -2.037929 -1.066659
H -0.232441 -0.614242 -1.790108
H -1.905135 -0.505767 2.115048
H -1.529778 -2.075857 1.366240
H 0.546722 -0.654224 1.835137
H 0.561030 -1.928143 0.578069
H -0.608685 1.526508 -0.676027
H -0.262882 1.488595 1.073734
H -2.298500 0.376390 -2.432826
H -2.777505 -1.325704 -2.431359
H -3.533863 -2.166821 0.204886
H -4.081566 -0.884112 1.295578
H 1.541234 0.073607 -0.979028
H -4.476035 1.566938 0.179800
H -3.482501 1.918049 -1.241222
H -2.261340 2.822334 0.634391
H -2.629214 1.456778 1.675982
H 1.949615 1.122113 1.857595
H 1.821082 2.015627 0.323250
H 2.567394 -2.175586 -0.417510
H 3.257238 -1.457177 1.052611
H 4.295802 0.693664 1.559055
H 4.086878 2.342344 0.946042
H 3.964326 -0.913584 -1.887421
H 5.036496 -1.270211 -0.523660
H 3.884725 1.405352 -1.417636
H 5.456721 1.049564 -0.688000


