%chk=000090277.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090277

0 1
 O    1.613800       1.072800     -0.9269000    
 N    3.661500       2.032200      0.7487000    
 C   -3.772700      4.9199998E-02  0.4031000    
 C   -4.350600      -1.127100     -0.4429000    
 C   -2.302500      0.3287000      4.0300000E-02
 C   -4.602800       1.319300      8.9699998E-02
 C   -3.998300     -0.2584000       1.903300    
 C   -3.606600      -2.452700     -0.3083000    
 C   -2.005200      0.6526000      -1.258300    
 C   -1.361100      0.2403000       1.033400    
 C  -0.6735000      0.9055000      -1.587100    
 C  -2.9400000E-02  0.4933000      0.7048000    
 C   0.3145000      0.8260000     -0.6055000    
 C    2.574000      0.2020000     -0.4394000    
 C    3.582200      0.6703000      0.3848000    
 C    2.493200      -1.132600     -0.7989000    
 C    4.539600     -0.2235000      0.8649000    
 C    3.450400      -2.026200     -0.3187000    
 C    4.473600      -1.571700      0.5130000    
 H   -5.399200      -1.293900     -0.1622000    
 H   -4.370900     -0.8592000      -1.506800    
 H   -4.608500       1.565700     -0.9777000    
 H   -4.210900       2.191600      0.6269000    
 H   -5.649400       1.188500      0.3896000    
 H   -5.059600     -0.4522000       2.102900    
 H   -3.709500      0.5869000       2.539700    
 H   -3.449600      -1.143900       2.241200    
 H   -4.084300      -3.209200     -0.9401000    
 H   -3.627000      -2.825200      0.7195000    
 H   -2.564000      -2.369500     -0.6279000    
 H   -2.755300      0.7169000      -2.038800    
 H   -1.572100     -9.2000002E-03   2.065100    
 H  -0.4112000       1.162800      -2.609700    
 H   0.7162000      0.4422000       1.493700    
 H    1.708600      -1.498500      -1.455000    
 H    5.342300      0.1175000       1.513800    
 H    3.400600      -3.075400     -0.5946000    
 H    5.219200      -2.267600      0.8863000    
 H    4.404500       2.353800       1.354500    
 H    2.967300       2.684000      0.4079000    


%chk=000090277-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090277

0 1
O 1.663313 0.780046 -0.840399
N 3.832491 2.193572 -0.041214
C -3.961830 0.048150 0.448989
C -4.640264 -0.854012 -0.641524
C -2.451841 0.200285 0.148695
C -4.632868 1.455513 0.400578
C -4.226783 -0.551527 1.853881
C -4.102913 -2.297867 -0.738261
C -2.027168 0.739850 -1.098340
C -1.439045 -0.167533 1.070359
C -0.664578 0.899215 -1.414902
C -0.064611 -0.012533 0.776763
C 0.317177 0.520295 -0.472543
C 2.733720 0.034443 -0.259545
C 3.873334 0.811575 0.107714
C 2.725975 -1.366755 -0.151016
C 5.009554 0.119492 0.613582
C 3.862441 -2.038073 0.359051
C 4.998825 -1.285948 0.740299
H -5.729473 -0.876320 -0.431489
H -4.526958 -0.362260 -1.628277
H -4.516464 1.929531 -0.590905
H -4.184746 2.130380 1.152638
H -5.716238 1.371905 0.610716
H -5.315628 -0.666505 2.008137
H -3.844190 0.111092 2.652250
H -3.763573 -1.545707 1.983699
H -4.595269 -2.840606 -1.566222
H -4.290034 -2.868795 0.189237
H -3.014388 -2.304835 -0.928499
H -2.772070 1.038281 -1.845343
H -1.711348 -0.580997 2.046007
H -0.346265 1.310112 -2.378019
H 0.694456 -0.298890 1.511182
H 1.839022 -1.927126 -0.464906
H 5.897836 0.692205 0.906825
H 3.859290 -3.128934 0.447386
H 5.885094 -1.795641 1.134558
H 4.630980 2.770724 0.200863
H 3.002340 2.620298 -0.443707


