%chk=000046728.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046728

2 1
 N   -3.780000      0.1264000      0.3224000    
 N   0.9913000       1.540500     -0.2702000    
 C   -2.424600      0.1309000       1.012700    
 C   -3.716900     -0.7026000     -0.9769000    
 C   -4.837200     -0.5633000       1.208900    
 C   3.0300001E-02  0.8854000      0.7211000    
 C   -1.377500      0.8135000      0.1389000    
 C   -4.941200      -1.595000     -0.9231000    
 C   -5.070700      -1.908900      0.5512000    
 C    1.042300      0.7803000      -1.597100    
 C    2.411000       1.621100      0.3151000    
 C   -4.194400       1.558800      2.2900000E-02
 C   0.4863000       2.960000     -0.5399000    
 C    1.575800     -0.6376000      -1.409300    
 C    3.193900      0.3359000      0.2819000    
 C    2.824000     -0.7168000     -0.5707000    
 C    4.347100      0.2143000       1.070400    
 C    3.594700      -1.888400     -0.5931000    
 C    5.111600     -0.9512000       1.032300    
 C    4.734100      -2.003200      0.2026000    
 H   -2.151900     -0.9101000       1.222200    
 H   -2.540100      0.6609000       1.965600    
 H   -2.813600      -1.322400     -0.9538000    
 H   -3.697900     -4.0800001E-02  -1.847800    
 H   -5.749300      4.3000001E-02   1.195000    
 H   -4.466500     -0.6413000       2.235500    
 H   0.4071000     -0.1111000      0.9705000    
 H   3.9600000E-02   1.486800       1.638200    
 H   -1.362100      0.3090000     -0.8261000    
 H   -1.707300       1.838600     -2.8100001E-02
 H   -4.824100      -2.494300      -1.534100    
 H   -5.825000      -1.052800      -1.279700    
 H   -6.048000      -2.328200      0.8060000    
 H   -4.300700      -2.625200      0.8611000    
 H    1.732300       1.345800      -2.238600    
 H   6.9499999E-02  0.8039000      -2.094200    
 H    2.309100       1.995800       1.340600    
 H    2.960300       2.363300     -0.2774000    
 H   -3.580700       1.970400     -0.7819000    
 H   -5.234200       1.547500     -0.3205000    
 H   -4.109800       2.148200      0.9403000    
 H   0.2939000       3.454600      0.4166000    
 H    1.264700       3.501600      -1.087300    
 H  -0.4072000       2.927000      -1.168000    
 H    1.783000      -1.054300      -2.402900    
 H   0.8066000      -1.273100     -0.9545000    
 H    4.655600       1.030500       1.719200    
 H    3.308300      -2.720100      -1.232200    
 H    6.000900      -1.037700       1.649600    
 H    5.326200      -2.913300      0.1751000    


%chk=000046728-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046728

2 1
N -3.713754 0.020903 0.336687
N 1.130066 1.797087 -0.432333
C -2.271110 0.275964 0.810317
C -3.772485 -0.919044 -0.909223
C -4.504718 -0.760181 1.466563
C 0.064886 1.069185 0.411858
C -1.346332 0.975180 -0.216947
C -5.019815 -1.785937 -0.687018
C -4.960593 -2.088640 0.829293
C 1.346712 1.156720 -1.827245
C 2.489873 1.704312 0.315572
C -4.437372 1.332446 0.036075
C 0.774639 3.270440 -0.606963
C 1.704677 -0.333055 -1.741413
C 3.034256 0.287706 0.361810
C 2.726712 -0.655881 -0.654047
C 3.937031 -0.051636 1.399455
C 3.340192 -1.931111 -0.616471
C 4.549214 -1.322145 1.421928
C 4.251864 -2.263167 0.407978
H -1.865466 -0.714117 1.085731
H -2.350550 0.881916 1.730968
H -2.859404 -1.539076 -0.892134
H -3.789150 -0.304270 -1.822311
H -5.353217 -0.122251 1.758614
H -3.837427 -0.884878 2.333351
H 0.474326 0.066689 0.619967
H 0.023759 1.620697 1.369060
H -1.313016 0.393573 -1.155655
H -1.733632 1.982629 -0.448725
H -4.980343 -2.700502 -1.299954
H -5.944186 -1.247186 -0.961488
H -5.935300 -2.404783 1.233229
H -4.238184 -2.897411 1.036360
H 2.172167 1.734266 -2.278090
H 0.437253 1.336021 -2.424632
H 2.337212 2.120773 1.327073
H 3.168711 2.383409 -0.233917
H -3.931515 1.865771 -0.782019
H -5.468970 1.103573 -0.270073
H -4.455819 1.955426 0.943994
H 0.652663 3.735741 0.383678
H 1.591721 3.771522 -1.147866
H -0.151571 3.367734 -1.191924
H 2.097886 -0.626544 -2.732848
H 0.791413 -0.945895 -1.595997
H 4.176971 0.678087 2.181975
H 3.113806 -2.665119 -1.398807
H 5.253939 -1.575568 2.219384
H 4.730579 -3.247073 0.415677


