%chk=000040272.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040272

0 1
 O   0.5591000     -8.6400002E-02 -0.9752000    
 N   -3.405300      -1.753300     -0.7433000    
 N    1.991800     -0.4546000      0.8480000    
 C   -1.670400     -0.9926000      0.4135000    
 C   -2.638700      4.6700001E-02  0.3288000    
 C   -3.717200     -0.4566000     -0.4019000    
 C  -0.3611000     -0.9211000       1.093400    
 C   -2.170400      -2.086300     -0.2549000    
 C   -2.701300       1.371200      0.8052000    
 C   -4.859600      0.3017000     -0.6813000    
 C   0.7683000     -0.4356000      0.1821000    
 C   -3.838000       2.141500      0.5335000    
 C   -4.899300       1.612900     -0.1985000    
 C    3.257600     -7.9200000E-02  0.3384000    
 C    4.370800     -0.1667000       1.157600    
 C    3.356100      0.3667000     -0.9691000    
 C    5.618600      0.2024000      0.6550000    
 C    4.603900      0.7357000      -1.471700    
 C    5.735100      0.6535000     -0.6597000    
 H  -0.4138000     -0.2484000       1.958100    
 H  -8.6099997E-02  -1.911900       1.477300    
 H   -1.759700      -3.071300     -0.4283000    
 H   -4.002300      -2.369700      -1.277300    
 H   -1.882500       1.799500       1.376000    
 H   -5.686400     -0.1088000      -1.251100    
 H   -3.891700       3.163900      0.8981000    
 H   -5.772500       2.228900     -0.3981000    
 H    1.991500     -0.7724000       1.815000    
 H    4.291100     -0.5170000       2.182900    
 H    2.530700      0.4584000      -1.659100    
 H    6.499400      0.1384000       1.287100    
 H    4.696300       1.087200      -2.495400    
 H    6.706600      0.9408000      -1.051100    


%chk=000040272-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040272

0 1
O 1.805551 -2.610057 1.228231
N -3.121175 -0.538251 -1.426391
N 1.202752 -0.766256 -0.102792
C -1.555477 -1.460166 -0.033349
C -2.076262 -0.246463 0.584707
C -3.055598 0.309652 -0.312744
C -0.537792 -2.406318 0.548219
C -2.221293 -1.598212 -1.254244
C -1.808775 0.420467 1.810807
C -3.764239 1.496241 -0.020885
C 0.937541 -1.933955 0.598735
C -2.512782 1.602764 2.108164
C -3.479236 2.134850 1.202770
C 2.440679 -0.083585 -0.269287
C 2.422016 1.128504 -1.012524
C 3.666562 -0.561133 0.268524
C 3.611999 1.854475 -1.218620
C 4.849301 0.178989 0.052278
C 4.835973 1.383798 -0.687338
H -0.794799 -2.674586 1.590228
H -0.530219 -3.360731 -0.011439
H -2.124608 -2.382166 -2.003784
H -3.731545 -0.409754 -2.230262
H -1.066418 0.023775 2.512339
H -4.507879 1.909112 -0.711612
H -2.318369 2.128318 3.049373
H -4.009290 3.057201 1.464788
H 0.382397 -0.332470 -0.540962
H 1.474371 1.501712 -1.422168
H 3.671811 -1.489499 0.842462
H 3.582731 2.787618 -1.792216
H 5.791474 -0.194169 0.469727
H 5.761197 1.947797 -0.846736


