%chk=000055531.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055531

0 1
 O    1.034700     -0.7358000       1.869500    
 N   -4.855400     -0.3655000     -2.3900000E-02
 N  -0.7773000      0.4728000       1.078800    
 N    2.373900     -0.9659000       1.578400    
 C   -5.318300      -1.702800     -0.3936000    
 C   -5.576200      0.5451000     -0.9130000    
 C   -6.815900      -1.506000     -0.5761000    
 C   -6.985100     -2.9500000E-02 -0.9209000    
 C   -3.411100     -0.2263000     -0.1380000    
 C   -2.980600       1.182100      0.2804000    
 C   -1.461500       1.382300      0.1833000    
 C   -1.075000       2.811000      0.5520000    
 C   0.5336000      0.1245000      0.9563000    
 C    1.490900      0.4824000      5.8699999E-02
 C    2.623500     -0.2278000      0.4931000    
 C    3.932400     -0.2170000     -0.1031000    
 C    4.383200      0.9207000     -0.7701000    
 C    4.746800      -1.344500     -1.2900000E-02
 C    5.652400      0.9309000      -1.348600    
 C    6.016000      -1.334200     -0.5913000    
 C    6.468900     -0.1965000      -1.259100    
 H   -5.100900      -2.444600      0.3813000    
 H   -4.871900      -2.041600      -1.337400    
 H   -5.166100      0.5355000      -1.931000    
 H   -5.596500       1.576700     -0.5486000    
 H   -7.354400      -1.734100      0.3513000    
 H   -7.213500      -2.154600      -1.363300    
 H   -7.468200      0.1062000      -1.893800    
 H   -7.610500      0.4581000     -0.1639000    
 H   -3.068100     -0.4312000      -1.160600    
 H   -2.934500     -0.9651000      0.5169000    
 H   -3.317700       1.378500       1.307200    
 H   -3.449100       1.936900     -0.3616000    
 H   -1.160300       1.189500     -0.8545000    
 H   -1.341200       3.039800       1.590400    
 H   6.0000003E-04   2.983700      0.4436000    
 H   -1.589500       3.530500     -9.3999997E-02
 H   -1.305400      0.1270000       1.876000    
 H    1.387300       1.148100     -0.7862000    
 H    3.774500       1.818000     -0.8480000    
 H    4.418600      -2.248900      0.4935000    
 H    6.006300       1.817400      -1.866800    
 H    6.651300      -2.212600     -0.5235000    
 H    7.457200     -0.1883000      -1.709300    


%chk=000055531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055531

0 1
O 1.018493 -0.862027 1.917433
N -4.859091 -0.326987 -0.198589
N -0.809556 0.422090 1.180958
N 2.438143 -1.117729 1.564718
C -5.275008 -1.666836 -0.692053
C -5.768295 0.636704 -0.878137
C -6.816784 -1.594892 -0.633604
C -7.140937 -0.096087 -0.946904
C -3.420456 -0.043535 -0.348346
C -2.998411 1.242556 0.391800
C -1.470873 1.480924 0.384516
C -1.104684 2.895557 0.896946
C 0.507193 0.084081 1.018787
C 1.501893 0.458833 0.115477
C 2.661730 -0.307205 0.490634
C 3.998754 -0.295266 -0.142457
C 4.250329 0.496331 -1.294209
C 5.056100 -1.080524 0.395317
C 5.527744 0.504915 -1.894869
C 6.329957 -1.071007 -0.206533
C 6.573258 -0.278158 -1.354265
H -4.850235 -2.464131 -0.056412
H -4.933951 -1.846832 -1.744852
H -5.402838 0.871138 -1.912122
H -5.823201 1.587833 -0.319609
H -7.163805 -1.856020 0.380760
H -7.290873 -2.291080 -1.347011
H -7.595915 0.023592 -1.945732
H -7.851676 0.312197 -0.208657
H -3.126755 0.046774 -1.429824
H -2.855855 -0.900859 0.064706
H -3.366764 1.190929 1.437100
H -3.483600 2.123038 -0.069631
H -1.105049 1.372332 -0.657698
H -1.526502 3.066227 1.904502
H -0.009358 3.022603 0.956894
H -1.506931 3.670730 0.219178
H -1.295858 0.050244 1.998800
H 1.421280 1.181207 -0.690833
H 3.448407 1.104943 -1.726027
H 4.861053 -1.690301 1.283268
H 5.706683 1.120739 -2.783401
H 7.135343 -1.680635 0.218059
H 7.564801 -0.271502 -1.820477


