%chk=000040320.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040320

0 1
 O   -1.670900      -2.251300     -0.8803000    
 N    3.173700      0.6482000      -1.162100    
 N    3.913200      0.1364000      0.8705000    
 N    5.391700       1.211200     -0.7055000    
 C    2.112100      5.9999999E-02 -0.5237000    
 C    2.598800     -0.2504000      0.7430000    
 C  -2.5900001E-02 -0.8416000      1.4000000E-03
 C   0.8076000     -0.2185000     -0.9332000    
 C    1.747600     -0.8761000       1.669400    
 C   0.4337000      -1.165400       1.280100    
 C   -1.398200      -1.156800     -0.3664000    
 C    4.225400      0.6709000     -0.2888000    
 C   -2.524500     -0.2002000     -0.1489000    
 C   -2.249300       1.021900      0.4194000    
 C   -3.792000     -0.5794000     -0.5258000    
 C   -3.301100       1.915400      0.6224000    
 C   -4.843700      0.3141000     -0.3228000    
 C   -4.598100       1.561500      0.2514000    
 H   0.4624000      3.7999999E-02  -1.929200    
 H    2.095200      -1.131700       2.665300    
 H  -0.2291000      -1.649900       1.994100    
 H    3.178300       1.002200      -2.109400    
 H   -1.255100       1.332700      0.7207000    
 H   -4.007600      -1.544100     -0.9742000    
 H   -3.110500       2.886800       1.069500    
 H   -5.854000      3.9000001E-02 -0.6117000    
 H    6.203600       1.253800     -9.7999997E-02
 H    5.515300       1.598600      -1.635900    
 H   -5.417100       2.257200      0.4094000    


%chk=000040320-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040320

0 1
O -1.473822 -0.854950 -2.193973
N 3.663888 0.137592 -1.339794
N 3.979772 0.255293 0.931844
N 5.930838 0.374493 -0.473970
C 2.375260 0.043888 -0.767569
C 2.605594 0.121329 0.654190
C -0.003645 -0.143695 -0.428153
C 1.103172 -0.096700 -1.324017
C 1.504190 0.046756 1.536286
C 0.213265 -0.079333 0.985719
C -1.357684 -0.343620 -1.030072
C 4.574124 0.259511 -0.280802
C -2.601010 0.064102 -0.283094
C -2.643094 1.190166 0.582541
C -3.798496 -0.659023 -0.533961
C -3.857016 1.574191 1.194620
C -5.004846 -0.286682 0.091675
C -5.037397 0.831983 0.959928
H 0.912070 -0.182646 -2.398562
H 1.662139 0.077725 2.618077
H -0.644304 -0.170022 1.659185
H 3.877371 0.111861 -2.334517
H -1.737860 1.782970 0.750080
H -3.758016 -1.503428 -1.230062
H -3.882415 2.452908 1.848683
H -5.919341 -0.859392 -0.098385
H 6.512985 0.454509 0.355154
H 6.362371 0.355920 -1.391995
H -5.976593 1.126793 1.441643


