%chk=000055852.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055852

0 1
 N    3.365900       1.258600     -0.1686000    
 N   -3.773500     -0.8893000       1.984700    
 C   0.9953000       1.113600      0.7064000    
 C    2.460300      0.5971000      0.7720000    
 C   0.3289000      0.3440000     -0.4761000    
 C   0.8980000       2.638000      0.6099000    
 C    2.245800     -0.8343000      0.3529000    
 C    1.051100     -0.9800000     -0.3706000    
 C    1.912700       3.227900     -0.3608000    
 C    3.315500       2.711800     -6.1700001E-02
 C   -1.179500      0.2767000     -0.3838000    
 C    3.093500      -1.911700      0.5604000    
 C   0.7025000      -2.204900     -0.9205000    
 C   -1.786000     -0.2687000      0.7479000    
 C   -1.964800      0.7588000      -1.431400    
 C    2.733200      -3.151200      2.9400000E-02
 C    1.548600      -3.295900     -0.7085000    
 C   -3.176900     -0.3319000      0.8322000    
 C   -3.355600      0.6955000      -1.347200    
 C   -3.961600      0.1502000     -0.2153000    
 C   -5.453500      9.5600002E-02 -0.1514000    
 H   0.5102000      0.8262000       1.651200    
 H    2.844900      0.6567000       1.796600    
 H   0.6235000      0.7981000      -1.431600    
 H    1.090900       3.059900       1.605100    
 H  -0.1149000       2.949900      0.3327000    
 H    1.632800       2.982200      -1.392500    
 H    1.899400       4.321100     -0.2830000    
 H    3.113100       1.003400      -1.124100    
 H    4.023700       3.145000     -0.7764000    
 H    3.640900       3.028700      0.9364000    
 H    4.019900      -1.798300       1.113200    
 H  -0.2051000      -2.324900      -1.502500    
 H   -1.185200     -0.6600000       1.565500    
 H   -1.506700       1.186600      -2.319200    
 H    3.380800      -4.010900      0.1787000    
 H    1.290500      -4.266400      -1.123700    
 H   -3.951800       1.075800      -2.172400    
 H   -5.914700      0.5141000      -1.052800    
 H   -5.796800     -0.9405000     -6.3800000E-02
 H   -5.823100      0.6762000      0.7004000    
 H   -3.187900      -1.231100       2.735500    
 H   -4.778200     -0.9452000       2.075800    


%chk=000055852-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055852

0 1
N 3.449521 1.270019 -0.120363
N -3.859826 -1.315632 1.718648
C 0.988530 1.192085 0.672706
C 2.457490 0.643395 0.805373
C 0.332181 0.313473 -0.459370
C 0.908619 2.722145 0.468286
C 2.283893 -0.823562 0.437038
C 1.082203 -1.011786 -0.294617
C 1.938698 3.249921 -0.559631
C 3.358273 2.748748 -0.188656
C -1.188196 0.259537 -0.380172
C 3.163584 -1.898145 0.672011
C 0.744034 -2.287862 -0.789140
C -1.834144 -0.515936 0.610118
C -1.981531 1.027857 -1.267905
C 2.821924 -3.182635 0.181232
C 1.619477 -3.374399 -0.543339
C -3.249250 -0.534969 0.730427
C -3.390174 1.014522 -1.148173
C -4.050715 0.248654 -0.163958
C -5.563719 0.236937 -0.047279
H 0.455875 0.932859 1.611141
H 2.830656 0.792500 1.838068
H 0.599400 0.746912 -1.447584
H 1.101382 3.221592 1.440437
H -0.121855 2.999965 0.172409
H 1.686585 2.899228 -1.581650
H 1.913772 4.357294 -0.583396
H 3.400662 0.840591 -1.055776
H 4.110246 3.109083 -0.914952
H 3.640248 3.156759 0.803682
H 4.096787 -1.740955 1.224265
H -0.187927 -2.438079 -1.345884
H -1.229434 -1.125266 1.294842
H -1.501073 1.629512 -2.048564
H 3.488693 -4.033541 0.362340
H 1.365960 -4.373261 -0.917450
H -3.996352 1.612439 -1.840348
H -6.022584 0.892682 -0.806114
H -5.982747 -0.779752 -0.195481
H -5.905886 0.594007 0.945946
H -3.297831 -1.881383 2.347321
H -4.869350 -1.349051 1.812511


