%chk=000168061.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168061

0 1
 O    6.089100      0.2216000      0.4238000    
 O   1.6400000E-02  0.3453000      -1.450800    
 N    2.454300      0.1186000     -0.1786000    
 N   -1.038000      0.3071000      0.6465000    
 C    1.320100      0.6846000      0.5508000    
 C    3.706100      0.4036000      0.5217000    
 C   -2.393100      6.6699997E-02  0.3169000    
 C   4.0700000E-02  0.4290000     -0.2271000    
 C    4.896700     -9.0599999E-02 -0.2843000    
 C   -3.238700       1.141300      8.5500002E-02
 C   -2.852000      -1.239200      0.2309000    
 C    2.282400      -1.323300     -0.3519000    
 C   -4.574500      0.9044000     -0.2399000    
 C   -4.187600      -1.475900     -9.4400004E-02
 C   -2.760500       2.554300      0.1741000    
 C   -1.954700      -2.408500      0.4769000    
 C   -5.049000     -0.4043000     -0.3301000    
 C    7.242300     -0.2347000     -0.2701000    
 H    1.250800      0.2606000       1.560600    
 H    1.423400       1.772600      0.6416000    
 H    3.724400     -4.0700000E-02   1.526200    
 H    3.818100       1.485900      0.6688000    
 H    4.919900      0.3912000      -1.269400    
 H    4.876400      -1.176200     -0.4188000    
 H  -0.8936000      0.5950000       1.612100    
 H    2.998800      -1.727000      -1.074200    
 H    1.311400      -1.606600     -0.7689000    
 H    2.394700      -1.866900      0.5941000    
 H   -5.259100       1.727400     -0.4273000    
 H   -4.573800      -2.489100     -0.1699000    
 H   -2.016100       2.755000     -0.6033000    
 H   -3.578100       3.270800      3.8699999E-02
 H   -2.319800       2.751300       1.157100    
 H   -1.198400      -2.480000     -0.3114000    
 H   -1.457300      -2.317400       1.448300    
 H   -2.509900      -3.352800      0.4889000    
 H   -6.088700     -0.5888000     -0.5840000    
 H    7.221700      -1.323600     -0.3763000    
 H    8.125500      4.1200001E-02  0.3124000    
 H    7.311500      0.2394000      -1.253900    


%chk=000168061-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168061

0 1
O 6.171662 0.401085 0.023067
O 0.056030 -0.405421 -1.321305
N 2.509975 -0.285996 0.297126
N -1.072475 0.328402 0.598870
C 1.369269 0.598952 0.528221
C 3.830533 0.321310 0.573385
C -2.435756 0.111021 0.186799
C 0.074615 0.103837 -0.168511
C 4.902616 -0.206134 -0.392803
C -3.333683 1.218166 0.258648
C -2.875950 -1.179824 -0.226511
C 2.328305 -1.633461 0.864789
C -4.684377 1.021196 -0.110359
C -4.234944 -1.327377 -0.603781
C -2.848067 2.586009 0.707135
C -1.950871 -2.378628 -0.239584
C -5.134408 -0.242725 -0.550601
C 7.278216 0.021487 -0.850227
H 1.154119 0.759797 1.622037
H 1.603011 1.591813 0.097241
H 4.176151 0.144024 1.619839
H 3.762284 1.415960 0.439459
H 4.645877 0.080839 -1.434542
H 4.976736 -1.315569 -0.347902
H -0.933005 0.824005 1.484147
H 3.197108 -2.266508 0.618213
H 1.436299 -2.108151 0.420204
H 2.212604 -1.626077 1.978751
H -5.380148 1.867073 -0.063991
H -4.586758 -2.313493 -0.928624
H -1.957506 2.905461 0.134479
H -3.635648 3.344842 0.566064
H -2.570256 2.603255 1.780954
H -1.256684 -2.322839 -1.097496
H -1.326097 -2.412451 0.672948
H -2.526121 -3.317932 -0.302939
H -6.181029 -0.381950 -0.842908
H 7.442868 -1.077836 -0.846634
H 8.174531 0.525434 -0.455018
H 7.102774 0.349708 -1.897339


