%chk=000085578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085578

0 1
 O   0.6699000      0.4963000     -0.4745000    
 N    3.712300      0.2268000       1.532600    
 C  -0.7188000      0.1988000     -0.5725000    
 C   -1.022300      -1.089900      0.1907000    
 C   -1.534400       1.374900     -3.7700001E-02
 C   -2.515600      -1.399700      0.1975000    
 C   -3.027800       1.065300     -3.0900000E-02
 C   -3.331000     -0.2236000      0.7297000    
 C    1.464400     -0.5463000      -1.021500    
 C    2.934800     -0.1589000     -0.9508000    
 C    3.368400      5.6299999E-02  0.4376000    
 H  -0.9719000      6.3900001E-02  -1.633000    
 H  -0.6446000      -1.017200       1.218500    
 H  -0.5353000      -1.960000     -0.2591000    
 H   -1.337000       2.268300     -0.6422000    
 H   -1.199600       1.623800      0.9778000    
 H   -2.706700      -2.287500      0.8109000    
 H   -2.844500      -1.638500     -0.8216000    
 H   -3.385700      0.9719000      -1.063600    
 H   -3.575500       1.898800      0.4228000    
 H   -4.400100     -0.4526000      0.6555000    
 H   -3.108100     -7.8699999E-02   1.794000    
 H    1.360000      -1.474200     -0.4527000    
 H    1.183400     -0.7258000      -2.065600    
 H    3.095500      0.7670000      -1.515400    
 H    3.545800     -0.9404000      -1.415300    


%chk=000085578-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085578

0 1
O 0.684392 0.424111 -0.467258
N 3.816879 -0.318951 1.588114
C -0.750090 0.061829 -0.554019
C -1.098083 -1.149652 0.339510
C -1.526544 1.317049 -0.124968
C -2.625227 -1.416560 0.334228
C -3.052844 1.056832 -0.119950
C -3.415431 -0.158722 0.766620
C 1.580843 -0.476713 -1.182544
C 3.014304 0.033058 -0.929953
C 3.453147 -0.154459 0.464025
H -0.997697 -0.182653 -1.615350
H -0.757521 -0.925274 1.369533
H -0.556299 -2.055419 0.004475
H -1.269806 2.154336 -0.799823
H -1.187333 1.600660 0.890803
H -2.856216 -2.267691 1.002737
H -2.945585 -1.716977 -0.685565
H -3.400041 0.867745 -1.157195
H -3.583115 1.962186 0.231760
H -4.503668 -0.356185 0.718222
H -3.175821 0.075999 1.823969
H 1.478746 -1.525063 -0.834174
H 1.373456 -0.446804 -2.275604
H 3.054144 1.109861 -1.177334
H 3.721012 -0.493743 -1.599058


