%chk=000041886.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041886

0 1
 O    4.598300      7.3299997E-02  0.2383000    
 N   0.6078000       1.488400     -3.7700001E-02
 N   0.8105000      -2.035900     -0.1605000    
 C   2.6000000E-03  0.2613000     -0.1367000    
 C    2.231700     -2.4700001E-02  3.7900001E-02
 C   0.9920000     -0.6982000     -9.2299998E-02
 C    1.964500       1.326100      6.9600001E-02
 C   -1.428700      0.1329000     -0.2611000    
 C   -2.221700      2.2299999E-02  0.8812000    
 C    2.860600       2.492900      0.1909000    
 C    3.546700     -0.5961000      0.1249000    
 C   -2.019800      0.1186000      -1.524600    
 C   -3.605700     -0.1026000      0.7599000    
 C   -3.403600     -6.3000000E-03  -1.645800    
 C   -4.196600     -0.1167000     -0.5036000    
 C    3.715100      -2.114000      7.8699999E-02
 C   -4.453800     -0.2212000       1.981000    
 H   0.1258000       2.377400     -4.2700000E-02
 H   -1.764400      3.0800000E-02   1.868600    
 H    2.304000       3.436100      0.1827000    
 H    3.424800       2.450500       1.128100    
 H    3.571500       2.521700     -0.6412000    
 H   -1.415900      0.2033000      -2.425000    
 H  -0.1219000      -2.430300     -0.2541000    
 H    1.526500      -2.745600     -0.1301000    
 H   -3.863800     -1.7999999E-02  -2.629600    
 H   -5.273500     -0.2153000     -0.6116000    
 H    3.225200      -2.581400      0.9359000    
 H    4.783100      -2.347700      0.1590000    
 H    3.377600      -2.509100     -0.8821000    
 H   -4.031600      0.3558000       2.810800    
 H   -5.462900      0.1659000       1.802800    
 H   -4.530400      -1.269900       2.284600    


%chk=000041886-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041886

0 1
O 4.674095 0.041079 0.064476
N 0.749059 1.504249 -0.572906
N 0.624744 -1.911502 0.601373
C -0.003747 0.371597 -0.172619
C 2.277961 -0.039211 0.034214
C 0.942477 -0.612615 0.199651
C 2.099846 1.293674 -0.447246
C -1.464041 0.352000 -0.234169
C -2.234171 -0.440751 0.671061
C 3.104688 2.359691 -0.764525
C 3.601181 -0.612816 0.297178
C -2.170393 1.143147 -1.190370
C -3.647513 -0.474320 0.624262
C -3.578912 1.131203 -1.231131
C -4.319636 0.324135 -0.338400
C 3.710440 -2.029716 0.872645
C -4.435227 -1.341854 1.592226
H 0.326826 2.397328 -0.824834
H -1.721940 -0.987535 1.472520
H 2.605723 3.296981 -1.075146
H 3.751680 2.564756 0.105865
H 3.788239 2.032015 -1.567198
H -1.616581 1.734614 -1.930196
H -0.332148 -2.238308 0.487331
H 1.352963 -2.613861 0.674511
H -4.103329 1.743763 -1.973701
H -5.415228 0.317311 -0.382748
H 3.111373 -2.140615 1.796411
H 4.767524 -2.233849 1.102908
H 3.368978 -2.782497 0.133231
H -3.824901 -1.636596 2.463774
H -5.332006 -0.816296 1.966944
H -4.784024 -2.270900 1.100812


