%chk=000088578.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088578

0 1
 O  -0.4055000     -0.8047000      3.8400002E-02
 O    6.283800     -0.5124000     -4.5600001E-02
 O    6.256500       1.733900      0.3781000    
 N    1.532300      0.4786000      2.2600001E-02
 N    4.322200      0.6585000     -0.3280000    
 N  -0.7057000       1.436300     -1.6200000E-02
 C    2.334000     -0.7511000      5.7399999E-02
 C    2.236500       1.696800      0.4486000    
 C    3.623400     -0.5600000     -0.7423000    
 C    3.512400       1.873900     -0.3693000    
 C   0.1562000      0.4387000      1.3600000E-02
 C    5.670700      0.7101000      3.0300001E-02
 C   -1.744700     -0.5569000      2.2700001E-02
 C   -1.922500      0.8038000     -1.0200000E-02
 C   -2.594600      -1.712200      4.3400001E-02
 C   -3.179200       1.485300     -3.5300002E-02
 C    7.671600     -0.5458000      0.3069000    
 C   -3.860000      -1.648100      0.6367000    
 C   -2.164400      -2.914100     -0.5290000    
 C   -3.806700       1.848900       1.160000    
 C   -3.788900       1.792900      -1.255100    
 C   -4.685400      -2.772400      0.6573000    
 C   -2.989700      -4.038400     -0.5085000    
 C   -5.032600       2.513800       1.135700    
 C   -5.014800       2.458000      -1.279600    
 C    8.182100      -1.964100      0.1669000    
 C   -4.250300      -3.967500      8.4700003E-02
 C   -5.636600       2.818400     -8.4100001E-02
 H    1.797100      -1.606300     -0.3688000    
 H    2.569100     -0.9937000       1.101000    
 H    2.477700       1.613800       1.515600    
 H    1.610200       2.587400      0.3209000    
 H    4.257700      -1.444000     -0.6344000    
 H    3.394700     -0.4473000      -1.809000    
 H    3.270100       2.064000      -1.421800    
 H    4.079800       2.733300      1.0000000E-03
 H    8.233400      0.1172000     -0.3604000    
 H    7.793000     -0.2093000       1.342500    
 H   -4.229800     -0.7553000       1.124300    
 H   -1.189600      -2.996700      -1.004300    
 H   -3.349100       1.621300       2.120200    
 H   -3.318000       1.519300      -2.196700    
 H   -5.663900      -2.720000       1.125800    
 H   -2.651700      -4.968800     -0.9554000    
 H   -5.516800       2.794700       2.066400    
 H   -5.485300       2.695100      -2.229300    
 H    9.241900      -2.026200      0.4291000    
 H    7.616900      -2.642500      0.8146000    
 H    8.050000      -2.321400     -0.8597000    
 H   -4.892200      -4.843400      0.1021000    
 H   -6.591100       3.336100     -0.1031000    


%chk=000088578-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088578

0 1
O -0.432248 -0.978858 -0.028359
O 6.276913 -0.472377 -0.001039
O 6.191590 1.858438 0.304717
N 1.518155 0.344600 0.288326
N 4.268973 0.630587 -0.253120
N -0.730884 1.269242 0.345068
C 2.375473 -0.856376 0.319830
C 2.174237 1.630352 0.607736
C 3.607029 -0.644463 -0.589446
C 3.404698 1.826971 -0.301548
C 0.152762 0.277476 0.226698
C 5.613580 0.769783 0.035987
C -1.856574 -0.711841 -0.061406
C -2.005173 0.664082 0.138025
C -2.701186 -1.896707 -0.196068
C -3.202124 1.526551 0.112987
C 7.736150 -0.409209 0.299377
C -4.022889 -1.934241 0.336786
C -2.193547 -3.066923 -0.833550
C -3.181983 2.750560 0.837114
C -4.354921 1.207361 -0.656535
C -4.814303 -3.093424 0.210251
C -2.988204 -4.225454 -0.950476
C -4.296779 3.614316 0.819503
C -5.466761 2.075149 -0.675564
C 8.267134 -1.834426 0.179637
C -4.305871 -4.245696 -0.436005
C -5.447447 3.279443 0.067524
H 1.792399 -1.725482 -0.022323
H 2.714505 -1.048338 1.359932
H 2.493001 1.634860 1.670983
H 1.440194 2.438088 0.458085
H 4.325293 -1.466777 -0.462577
H 3.276037 -0.617271 -1.647835
H 3.069155 1.996192 -1.344580
H 3.999669 2.694360 0.026224
H 8.213635 0.281121 -0.419000
H 7.868328 0.006840 1.314484
H -4.419053 -1.063006 0.867439
H -1.175358 -3.055659 -1.235062
H -2.279731 3.008889 1.400040
H -4.371807 0.293015 -1.258671
H -5.826352 -3.102301 0.630383
H -2.580167 -5.113326 -1.446667
H -4.267548 4.550590 1.388297
H -6.344008 1.817437 -1.279742
H 9.351392 -1.846953 0.393847
H 7.764639 -2.505661 0.897252
H 8.110282 -2.229906 -0.838625
H -4.923363 -5.145685 -0.529557
H -6.312745 3.951557 0.051924


