%chk=000047339.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047339

0 1
 N   -2.196200      0.7891000     -0.1265000    
 N  -0.3054000      -1.339500     -0.5441000    
 C   -1.722500      -1.056800       1.514900    
 C   -2.805900      -1.600400     -0.6229000    
 C   -2.819900      -1.906400      0.8745000    
 C   -2.051600      0.4371000       1.293600    
 C   -3.128200     -0.1029000     -0.8317000    
 C  -0.3570000      -1.469700      0.9194000    
 C   -1.434200      -2.010300      -1.205500    
 C   -2.582300       2.188300     -0.2867000    
 C   0.9716000      -1.812400      -1.071100    
 C   -1.507400       3.105300      0.2945000    
 C    2.132500      -1.034700     -0.5102000    
 C  -0.1601000       2.882600     -0.3936000    
 C    2.573400      0.1048000      -1.168600    
 C    2.745100      -1.468100      0.6574000    
 C   0.9070000       3.816400      0.1548000    
 C    3.648700      0.8255000     -0.6489000    
 C    3.820300     -0.7473000       1.177000    
 C    4.272000      0.3995000      0.5238000    
 H   -1.703700      -1.251700       2.594500    
 H   -3.584000      -2.194400      -1.118000    
 H   -2.638600      -2.973000       1.054000    
 H   -3.798000      -1.668400       1.309700    
 H   -2.972300      0.6790000       1.841400    
 H   -1.237000      0.9985000       1.761600    
 H   -3.096700      0.1136000      -1.906800    
 H   -4.157200      8.4500000E-02 -0.4957000    
 H   0.3781000     -0.8170000       1.399800    
 H  -0.1430000      -2.503600       1.222000    
 H   -1.328700      -3.100300      -1.119500    
 H   -1.424300      -1.770000      -2.275900    
 H   -3.544900       2.396100      0.1976000    
 H   -2.701000       2.423500      -1.352100    
 H   0.9851000      -1.711200      -2.164800    
 H    1.114100      -2.883900     -0.8728000    
 H   -1.418600       3.016600       1.382000    
 H   -1.821800       4.142200      0.1159000    
 H  -0.2591000       3.046200      -1.473200    
 H   0.1859000       1.854000     -0.2515000    
 H    2.092800      0.4479000      -2.080400    
 H    2.414200      -2.366900       1.170000    
 H    1.858600       3.649300     -0.3594000    
 H   0.6236000       4.863900      1.1300000E-02
 H    1.064600       3.645600       1.224600    
 H    3.999300       1.719400      -1.156500    
 H    4.307700      -1.080500       2.088500    
 H    5.109300      0.9606000      0.9285000    


%chk=000047339-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047339

0 1
N -2.116740 0.835639 -0.224278
N -0.277377 -1.634420 -0.326030
C -1.875503 -0.984799 1.531560
C -2.772338 -1.590720 -0.690959
C -2.984921 -1.795916 0.826010
C -2.079612 0.519842 1.223361
C -2.955499 -0.091241 -1.026400
C -0.493833 -1.563138 1.135402
C -1.407478 -2.199164 -1.091004
C -2.524398 2.237103 -0.495683
C 1.015841 -2.247531 -0.684266
C -1.618552 3.319390 0.129440
C 2.217626 -1.378970 -0.318934
C -0.143524 3.245707 -0.319667
C 2.145854 0.027634 -0.476185
C 3.428212 -1.958630 0.131900
C 0.715062 4.386007 0.268027
C 3.265315 0.839458 -0.191813
C 4.553745 -1.148629 0.412431
C 4.475929 0.253944 0.250887
H -1.963043 -1.097336 2.630910
H -3.547288 -2.141476 -1.261202
H -2.915979 -2.869701 1.089094
H -3.987096 -1.438312 1.133513
H -3.035277 0.835710 1.728955
H -1.263698 1.104327 1.688859
H -2.728583 0.087015 -2.096347
H -4.048612 0.140064 -0.884198
H 0.315822 -0.949511 1.573376
H -0.413627 -2.584310 1.602337
H -1.489116 -3.313235 -0.951804
H -1.215117 -2.023565 -2.168250
H -3.580809 2.413892 -0.148284
H -2.526280 2.369404 -1.596754
H 1.009937 -2.401183 -1.783171
H 1.145562 -3.264662 -0.226019
H -1.670642 3.273074 1.235891
H -2.039149 4.306804 -0.152898
H -0.101382 3.276553 -1.427744
H 0.271253 2.265488 -0.023121
H 1.193023 0.456901 -0.806402
H 3.491063 -3.046233 0.267092
H 1.766144 4.316895 -0.069811
H 0.327874 5.377035 -0.037510
H 0.715540 4.353868 1.374370
H 3.194947 1.927230 -0.313230
H 5.485197 -1.609412 0.761603
H 5.345831 0.883211 0.471845


