%chk=000037556.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037556

0 1
 O   1.0600000E-02   2.066300     -0.2034000    
 N  -0.6922000     -0.1590000      3.9700001E-02
 N   -4.867200      0.2121000     -2.5200000E-02
 N    5.666500     -0.8123000      3.8100000E-02
 C   -2.104200     -4.6999998E-02  1.9300001E-02
 C   -2.892900      -1.173300      0.1400000    
 C    1.654700      0.4288000     -4.0100001E-02
 C   0.2658000      0.8588000     -6.7900002E-02
 C   -2.665800       1.206500     -0.1233000    
 C    2.644900       1.298400      0.4166000    
 C    1.996800     -0.8531000     -0.4708000    
 C   -2.327100      -2.543100      0.2952000    
 C    4.319400     -0.3956000      1.1900000E-02
 C   -4.266100     -0.9910000      0.1120000    
 C    3.977200      0.8863000      0.4425000    
 C    3.329000      -1.265300     -0.4449000    
 C   -4.049200       1.282400     -0.1396000    
 H  -0.3537000      -1.103100      0.1932000    
 H   -2.133600       2.138100     -0.2238000    
 H    2.399300       2.299500      0.7614000    
 H    1.268100      -1.551500     -0.8716000    
 H   -1.699600      -2.801500     -0.5643000    
 H   -1.735600      -2.614100       1.213900    
 H   -3.115700      -3.301100      0.3583000    
 H   -4.952700      -1.827400      0.2012000    
 H    4.739700       1.572800      0.8017000    
 H    3.584600      -2.263600     -0.7912000    
 H   -4.552900       2.237300     -0.2486000    
 H    5.915000      -1.741800     -0.2733000    
 H    6.384800     -0.1823000      0.3698000    


%chk=000037556-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037556

0 1
O -0.011952 2.109861 0.042828
N -0.732535 -0.126966 0.081864
N -4.990179 0.211390 -0.072900
N 5.764568 -0.799741 0.001573
C -2.137439 0.026419 0.033211
C -2.944391 -1.155337 0.101721
C 1.670648 0.366967 0.018995
C 0.261421 0.869115 0.041916
C -2.783231 1.286568 -0.084233
C 2.699837 1.292385 0.345228
C 2.053713 -0.956305 -0.336881
C -2.336753 -2.539433 0.228861
C 4.427899 -0.418274 0.003204
C -4.346236 -0.987817 0.043436
C 4.049045 0.915792 0.345636
C 3.402745 -1.347616 -0.347123
C -4.191847 1.319015 -0.134194
H -0.399658 -1.085591 0.192733
H -2.192346 2.201632 -0.128509
H 2.404108 2.316800 0.594290
H 1.308198 -1.695449 -0.658082
H -1.691415 -2.794098 -0.636501
H -1.729595 -2.648118 1.150298
H -3.129781 -3.304525 0.274646
H -4.994972 -1.871867 0.092552
H 4.822306 1.647773 0.608013
H 3.673697 -2.369190 -0.639476
H -4.712913 2.278670 -0.226386
H 6.038875 -1.746145 -0.246380
H 6.496084 -0.134716 0.236462


