%chk=000046420.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046420

0 1
 O  -0.6885000      -1.240100       1.222900    
 N   0.7363000      0.8232000      0.1160000    
 C  -0.6965000      0.7375000     -0.1914000    
 C    1.476100     -0.1876000     -0.6349000    
 C  -0.8794000      0.8761000      -1.703300    
 C   -1.406600       1.868500      0.5540000    
 C   -1.189200     -0.6460000      0.2651000    
 C   0.9561000      0.6631000       1.550900    
 C    1.022000      -1.584400     -0.2315000    
 C    2.976000     -1.4200000E-02 -0.4307000    
 C   -2.306200      -1.296000     -0.5171000    
 H    1.354200     -6.5200001E-02  -1.715600    
 H  -0.6061000     -1.0600000E-02  -2.284200    
 H   -1.930400       1.075000      -1.949700    
 H  -0.3137000       1.730100      -2.097200    
 H   -1.631500       1.631900       1.599300    
 H   -2.384900       2.065100      9.6900001E-02
 H  -0.8488000       2.811300      0.5098000    
 H   0.2157000       1.127500       2.206400    
 H    1.864700       1.237600       1.783000    
 H    1.177200     -0.3253000       1.957800    
 H    1.775500      -2.230900     -0.7241000    
 H    1.218000      -1.922900      0.7904000    
 H   0.1638000      -2.010400     -0.7541000    
 H    3.288000       1.014000     -0.6467000    
 H    3.533300     -0.6691000      -1.110900    
 H    3.297400     -0.2629000      0.5865000    
 H   -2.668400      -2.168800      3.5100002E-02
 H   -1.967400      -1.628900      -1.499500    
 H   -3.141100     -0.5976000     -0.6172000    


%chk=000046420-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046420

0 1
O -1.975163 -0.682476 1.451538
N 0.604577 0.523796 0.239765
C -0.838417 0.821109 -0.119018
C 1.366848 -0.479728 -0.576200
C -0.945489 1.226112 -1.608295
C -1.348135 2.013581 0.729219
C -1.671093 -0.451815 0.243145
C 0.929379 0.494474 1.682740
C 1.467717 -1.898035 0.053658
C 2.778251 0.071797 -0.897719
C -2.036041 -1.459069 -0.845979
H 0.835998 -0.578755 -1.539606
H -0.674629 0.424575 -2.315402
H -1.980825 1.534079 -1.842128
H -0.276713 2.085360 -1.792091
H -1.477914 1.733437 1.785973
H -2.332466 2.343105 0.351443
H -0.640453 2.857936 0.648059
H 0.673568 1.456632 2.153043
H 2.018174 0.352815 1.797509
H 0.406611 -0.311205 2.244438
H 1.931742 -2.597363 -0.666674
H 2.098124 -1.890405 0.961096
H 0.477550 -2.297683 0.335265
H 2.702005 1.040337 -1.420854
H 3.339179 -0.636300 -1.536648
H 3.366575 0.228774 0.025621
H -2.523297 -2.332859 -0.384795
H -1.149992 -1.792989 -1.416476
H -2.730072 -0.999237 -1.574626


