%chk=000088832.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088832

0 1
 O  -4.5299999E-02 -0.6437000       1.416200    
 N   -3.902000     -6.7900002E-02 -0.2116000    
 N   0.9251000      0.1834000     -0.5563000    
 C   -2.646100     -0.3308000      0.4800000    
 C   -1.463500      5.8100000E-02 -0.4013000    
 C   -4.019900       1.353100     -0.5442000    
 C   -5.040000     -0.4938000      0.6051000    
 C  -0.1240000     -0.1843000      0.2816000    
 C    2.312200      0.1096000     -0.2853000    
 C   -5.288000       1.637500      -1.322400    
 C   -4.945700      -1.961900      0.9656000    
 C    2.950800       1.193000      0.2996000    
 C    3.009400      -1.044500     -0.6098000    
 C    4.318100       1.120500      0.5660000    
 C    4.376700      -1.117000     -0.3433000    
 C    2.214500       2.443900      0.6555000    
 C    2.336700      -2.220800      -1.240000    
 C    5.031000     -3.4400001E-02  0.2447000    
 H   -2.523700      -1.397300      0.6973000    
 H   -2.596800      0.2026000       1.438800    
 H   -1.452100       1.126900     -0.6359000    
 H   -1.481400     -0.5057000      -1.342100    
 H   -3.978300       1.989200      0.3488000    
 H   -3.220600       1.673300      -1.216700    
 H   -5.132100      0.1044000       1.520600    
 H   -5.974800     -0.3860000      4.5299999E-02
 H   -5.421200      0.9369000      -2.154000    
 H   -6.181700       1.612900     -0.6912000    
 H   -5.239600       2.645100      -1.751100    
 H   -4.712600      -2.582700      9.3599997E-02
 H   -4.207000      -2.155500       1.749800    
 H   -5.909500      -2.305200       1.358900    
 H   0.6976000      0.5194000      -1.489600    
 H    4.843700       1.954000       1.024500    
 H    4.947500      -2.009400     -0.5863000    
 H    2.890200       3.224500       1.021700    
 H    1.698700       2.850400     -0.2208000    
 H    1.483300       2.244300       1.445600    
 H    1.610600      -2.660600     -0.5486000    
 H    3.053100      -3.005200      -1.507800    
 H    1.825200      -1.924400      -2.161900    
 H    6.095500     -9.0999998E-02  0.4526000    


%chk=000088832-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088832

0 1
O 0.062176 -0.702420 1.428369
N -3.928179 0.188004 0.021669
N 0.931458 -0.000583 -0.632166
C -2.539113 0.334483 0.520737
C -1.507419 -0.332231 -0.420426
C -4.271717 1.192980 -1.021424
C -4.930103 0.132591 1.122209
C -0.114174 -0.363303 0.221188
C 2.337462 -0.007753 -0.317359
C -5.402128 0.728010 -1.959803
C -4.940028 -1.222397 1.855337
C 2.846766 0.762772 0.768311
C 3.200387 -0.770961 -1.160265
C 4.242955 0.720293 1.013135
C 4.588252 -0.769530 -0.890170
C 1.952132 1.631142 1.627286
C 2.639815 -1.583214 -2.315219
C 5.109897 -0.036425 0.198145
H -2.448303 -0.163947 1.500222
H -2.263491 1.406888 0.681780
H -1.488807 0.166792 -1.408658
H -1.841303 -1.374479 -0.583429
H -4.540916 2.179709 -0.563928
H -3.364708 1.371889 -1.629103
H -4.771937 0.961152 1.858923
H -5.928032 0.297708 0.676979
H -5.121336 -0.220177 -2.450418
H -6.348533 0.559750 -1.414894
H -5.596746 1.489255 -2.738562
H -5.161494 -2.036968 1.143912
H -3.967334 -1.441779 2.331031
H -5.709536 -1.225482 2.650040
H 0.683351 0.136495 -1.615257
H 4.648633 1.303929 1.847763
H 5.257895 -1.357544 -1.528636
H 2.547755 2.360088 2.202795
H 1.219795 2.185755 1.011269
H 1.366853 1.009795 2.329127
H 1.824260 -2.251092 -1.980484
H 3.426465 -2.206794 -2.771729
H 2.227176 -0.941811 -3.120899
H 6.185855 -0.049687 0.404199


