%chk=000003510.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003510

0 1
 O   0.4113000      -1.683900     -5.3800002E-02
 N   -4.652700      0.7823000      0.5198000    
 N  -0.5157000      0.4196000     -0.2317000    
 N    1.963600       1.470200     -0.1569000    
 N    3.290000       1.675600     -9.8700002E-02
 C   -3.960500     -0.2726000       1.274400    
 C   -4.270800      0.7228000     -0.8986000    
 C   -2.426100     -0.1646000       1.179700    
 C   -2.753700      0.8869000      -1.115000    
 C   -1.888400     -3.3199999E-02 -0.2480000    
 C   -4.510900      -1.633000      0.8028000    
 C   -4.838200     -0.5833000      -1.488800    
 C   -4.469100      -1.844800     -0.7098000    
 C   -4.493600       2.109600       1.105100    
 C   0.5526000     -0.4641000     -0.1333000    
 C    1.884900      0.1550000     -9.6400000E-02
 C    3.104800     -0.5074000     -1.4000000E-03
 C    4.031700      0.5289000     -4.8000002E-03
 C    3.556700      -1.834600      8.7200001E-02
 C    5.409900      0.3183000      7.6200001E-02
 C    3.794700       3.028700     -0.1404000    
 C    4.935200      -2.067900      0.1692000    
 C    5.844300      -1.008400      0.1632000    
 H   -4.230700     -0.1896000       2.336000    
 H   -4.769800       1.539200      -1.438400    
 H   -2.100100      0.7047000       1.767200    
 H   -1.962700      -1.031400       1.668500    
 H   -2.507600      0.7278000      -2.172900    
 H   -2.485500       1.932700     -0.9117000    
 H   -1.875600      -1.023700     -0.7081000    
 H   -5.559100      -1.707700       1.124200    
 H   -3.981200      -2.452400       1.303100    
 H   -4.529500     -0.6942000      -2.535100    
 H   -5.934300     -0.5046000      -1.502100    
 H   -3.482800      -2.203200      -1.014700    
 H   -5.157900      -2.654100     -0.9821000    
 H   -5.092900       2.842300      0.5533000    
 H   -3.458100       2.462700       1.119300    
 H   -4.867500       2.117700       2.135100    
 H  -0.3330000       1.419400     -0.2343000    
 H    2.867000      -2.672700      9.3000002E-02
 H    6.117700       1.139800      7.1999997E-02
 H    4.362900       3.212800      0.7747000    
 H    4.434600       3.130300      -1.020400    
 H    2.959000       3.730400     -0.2057000    
 H    5.301400      -3.089000      0.2381000    
 H    6.909300      -1.217200      0.2278000    


%chk=000003510-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003510

0 1
O 0.402949 -1.760414 -0.146656
N -4.746117 0.800168 0.443478
N -0.507796 0.397317 -0.115567
N 2.048505 1.493674 -0.043437
N 3.420685 1.725752 -0.012327
C -4.080833 -0.223899 1.301546
C -4.282999 0.659675 -0.966772
C -2.524710 -0.069348 1.286936
C -2.737132 0.862978 -1.099559
C -1.915876 -0.041700 -0.145806
C -4.601769 -1.621552 0.872870
C -4.808985 -0.694327 -1.514637
C -4.424105 -1.915492 -0.639274
C -4.713038 2.173990 0.976211
C 0.547651 -0.492220 -0.112019
C 1.897081 0.135052 -0.072423
C 3.177116 -0.528099 -0.058972
C 4.144755 0.532993 -0.020406
C 3.609404 -1.880353 -0.074880
C 5.539154 0.287579 0.002421
C 3.934823 3.091846 0.018798
C 4.992928 -2.129694 -0.051630
C 5.942983 -1.059979 -0.013734
H -4.420113 -0.049228 2.342293
H -4.770506 1.463731 -1.554050
H -2.261829 0.879867 1.797546
H -2.052078 -0.884846 1.865949
H -2.416657 0.690128 -2.144733
H -2.510028 1.926139 -0.868784
H -1.877847 -1.070764 -0.537308
H -5.680806 -1.648628 1.119111
H -4.103837 -2.406829 1.474468
H -4.453979 -0.841031 -2.553662
H -5.912425 -0.613884 -1.549920
H -3.385227 -2.227174 -0.847011
H -5.057286 -2.779187 -0.920465
H -5.309381 2.832943 0.318272
H -3.696252 2.628041 1.075641
H -5.180173 2.185012 1.978289
H -0.283771 1.396369 -0.069807
H 2.868833 -2.683748 -0.104707
H 6.272240 1.100059 0.031390
H 4.535611 3.266758 0.929661
H 4.560335 3.298600 -0.868536
H 3.073020 3.774511 0.018760
H 5.358636 -3.162118 -0.062852
H 7.012450 -1.298568 0.003091


