%chk=000068900.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068900

0 1
 O    2.319300       2.134400       1.248300    
 N    4.722200      -1.543900     -0.2100000    
 N    2.560000       1.398800     -0.9410000    
 C    3.481400     -0.7968000     -0.3708000    
 C   0.6635000       2.805400     -0.3919000    
 C    3.778600      0.6469000     -0.7490000    
 C    5.559000     -0.9382000      0.8277000    
 C    4.443200      -2.943700      0.1168000    
 C  -0.5576000       1.911600     -0.2732000    
 C    1.926100       2.086700      8.4600002E-02
 C   0.4624000       4.120000      0.3658000    
 C   -1.253300       1.569800      -1.417300    
 C  -0.9418000       1.463400      0.9763000    
 C    6.884900      -1.668000      0.9591000    
 C    3.575300      -3.593500     -0.9474000    
 C   -2.781000      0.2852000     -5.6400001E-02
 C   -2.375700      0.7490000      -1.307800    
 C   -2.064100      0.6424000       1.085700    
 C   -3.944900     -0.5670000      5.7399999E-02
 C   -5.206500     -2.7000001E-03  0.2461000    
 C   -3.805400      -1.952600     -2.2000000E-02
 C   -6.328600     -0.8240000      0.3556000    
 C   -4.927600      -2.773900      8.7399997E-02
 C   -6.189300      -2.209400      0.2761000    
 H    2.870000     -0.8309000      0.5411000    
 H    2.868100      -1.203300      -1.182500    
 H   0.8119000       3.077400      -1.446200    
 H    4.339500      0.6991000      -1.688700    
 H    4.338100       1.188200      1.6799999E-02
 H    5.844900      8.3400004E-02  0.5658000    
 H    5.051600     -0.9049000       1.800000    
 H    5.369900      -3.526300      0.1386000    
 H    3.962100      -3.047500       1.097600    
 H    2.150700       1.400600      -1.870600    
 H  -0.4270000       4.649000      5.7999999E-03
 H   0.3485000       3.970200       1.445100    
 H    1.327400       4.777600      0.2232000    
 H  -0.9467000       1.924200      -2.396800    
 H  -0.3951000       1.728300       1.876000    
 H    6.783900      -2.631100       1.468800    
 H    7.359400      -1.828300     -1.5300000E-02
 H    7.576000      -1.068800       1.562900    
 H    2.528100      -3.282000     -0.8823000    
 H    3.947800      -3.390900      -1.957500    
 H    3.583100      -4.681000     -0.8110000    
 H   -2.923000      0.4798000      -2.208200    
 H   -2.366100      0.2888000       2.068700    
 H   -5.333100       1.075500      0.3100000    
 H   -2.829300      -2.409000     -0.1689000    
 H   -7.311000     -0.3848000      0.5025000    
 H   -4.819300      -3.852700      2.5599999E-02
 H   -7.063000      -2.848900      0.3613000    


%chk=000068900-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068900

0 1
O 2.317627 2.140077 0.889062
N 4.667120 -1.605644 0.106247
N 2.649915 1.318624 -1.259171
C 3.466027 -0.901373 -0.401057
C 0.670545 2.751258 -0.853659
C 3.834105 0.522891 -0.891544
C 4.960867 -1.273778 1.529468
C 4.665711 -3.066814 -0.167461
C -0.559493 1.881579 -0.565907
C 1.946672 2.055138 -0.323535
C 0.540460 4.158162 -0.216465
C -1.452520 1.521696 -1.605407
C -0.848300 1.437299 0.750981
C 6.456751 -1.396080 1.877056
C 4.963361 -3.400051 -1.642038
C -2.897837 0.300553 -0.025336
C -2.601854 0.747249 -1.341394
C -1.993556 0.660894 1.012930
C -4.113265 -0.516078 0.258644
C -4.802076 -0.394564 1.497657
C -4.619417 -1.438022 -0.699622
C -5.952192 -1.165616 1.769450
C -5.770826 -2.208367 -0.430532
C -6.444015 -2.077201 0.806388
H 2.667342 -0.814978 0.372707
H 3.036866 -1.474386 -1.243692
H 0.757750 2.867657 -1.952815
H 4.516893 0.452223 -1.756040
H 4.356598 1.063935 -0.084352
H 4.635349 -0.232445 1.708562
H 4.356593 -1.910953 2.223259
H 5.451941 -3.525164 0.459833
H 3.699775 -3.541814 0.141076
H 2.281093 1.248485 -2.208767
H -0.396557 4.642676 -0.542132
H 0.536419 4.073926 0.882892
H 1.392584 4.800828 -0.502575
H -1.258734 1.866554 -2.629280
H -0.153689 1.683913 1.562138
H 6.831673 -2.425152 1.728341
H 7.051891 -0.722374 1.236258
H 6.630302 -1.125482 2.935394
H 4.203397 -2.972987 -2.322010
H 5.947068 -2.991058 -1.931339
H 4.972685 -4.495175 -1.797961
H -3.293157 0.515188 -2.159584
H -2.174154 0.301883 2.032603
H -4.451945 0.330722 2.240891
H -4.089582 -1.574279 -1.649389
H -6.470422 -1.048094 2.727900
H -6.136983 -2.918057 -1.181136
H -7.337306 -2.675823 1.016363


