%chk=000042073.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042073

0 1
 O    3.656600      -1.372100       1.943900    
 N   -3.535100      0.6215000      0.3069000    
 N  -0.6855000      0.6705000      0.2972000    
 C   -4.844400      0.1744000     -0.1337000    
 C   -5.673000     -0.4262000      0.9955000    
 C   -5.728000       1.319900     -0.6127000    
 C   -7.098100     -0.4011000      0.4490000    
 C   -7.133600      0.7255000     -0.5874000    
 C   -2.765400     -0.5016000      0.8613000    
 C   -2.801200       1.244800     -0.8037000    
 C   -1.398700     -3.1800002E-02   1.363200    
 C   -1.435400       1.753400     -0.3382000    
 C   0.6370000      0.4534000      4.0800001E-02
 C    1.013300     -0.9369000     -0.3283000    
 C    1.527100       1.461800      0.1200000    
 C    2.173500      -1.576900      0.1362000    
 C    2.982800       1.422700     -6.4800002E-02
 C   0.1426000      -1.692200      -1.140200    
 C    3.786600      0.3620000      0.3673000    
 C    3.210500     -0.8780000      0.9164000    
 C    2.430500      -2.925100     -0.1594000    
 C    3.612800       2.565500     -0.5839000    
 C   0.4042000      -3.030300      -1.448200    
 C    1.543800      -3.649100     -0.9499000    
 C    5.183700      0.4366000      0.2835000    
 C    5.004300       2.636200     -0.6835000    
 C    5.789200       1.573100     -0.2471000    
 H   -4.752700     -0.5679000     -0.9407000    
 H   -5.618700      0.1907000       1.901900    
 H   -5.379200      -1.447100       1.258800    
 H   -5.476300       1.675900      -1.616600    
 H   -5.679800       2.174300      7.4699998E-02
 H   -7.828700     -0.2422000       1.248500    
 H   -7.340100      -1.355300     -3.3100002E-02
 H   -7.393900      0.3161000      -1.570400    
 H   -7.882500       1.484100     -0.3386000    
 H   -2.638700      -1.294300      0.1129000    
 H   -3.274600     -0.9439000       1.724100    
 H   -3.340200       2.112200      -1.199200    
 H   -2.668300      0.5335000      -1.629800    
 H   -1.524100      0.6489000       2.215300    
 H  -0.8344000     -0.8959000       1.734100    
 H  -0.8988000       2.151700      -1.208600    
 H   -1.558200       2.578400      0.3750000    
 H    1.155500       2.454400      0.3778000    
 H  -0.7606000      -1.247000      -1.552500    
 H    3.331000      -3.414600      0.2039000    
 H    3.024800       3.420800     -0.9116000    
 H  -0.2874000      -3.586600      -2.074300    
 H    1.747500      -4.689200      -1.185700    
 H    5.808500     -0.3887000      0.6157000    
 H    5.473800       3.526500      -1.091900    
 H    6.871200       1.629900     -0.3190000    


%chk=000042073-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042073

0 1
O 4.369202 -1.431351 1.670077
N -3.613122 0.494867 0.118611
N -0.734166 0.153698 -0.183404
C -5.053124 0.322932 -0.221615
C -5.874878 -0.282468 0.956738
C -5.788731 1.653046 -0.528693
C -7.322648 0.296687 0.826305
C -7.281564 1.272925 -0.388973
C -2.953505 -0.800345 0.428128
C -2.849769 1.188672 -0.948715
C -1.498914 -0.578519 0.865325
C -1.389138 1.432041 -0.525890
C 0.689301 0.068194 -0.151834
C 1.235649 -1.308537 -0.294279
C 1.449258 1.227526 -0.124975
C 2.513892 -1.742074 0.185963
C 2.891771 1.425900 -0.132486
C 0.409584 -2.272911 -0.952464
C 3.876876 0.483287 0.319111
C 3.586693 -0.895885 0.815805
C 2.878164 -3.114972 0.052245
C 3.350070 2.734137 -0.500407
C 0.801119 -3.611592 -1.109574
C 2.043317 -4.046158 -0.584947
C 5.248230 0.868718 0.369866
C 4.706094 3.088485 -0.470189
C 5.672391 2.144545 -0.032698
H -5.160759 -0.345405 -1.119014
H -5.408643 0.044833 1.904956
H -5.872814 -1.386774 0.944456
H -5.554042 2.067744 -1.525085
H -5.501080 2.401200 0.236373
H -7.601023 0.839403 1.747854
H -8.076778 -0.497541 0.682332
H -7.621864 0.756638 -1.307489
H -7.931735 2.154584 -0.249314
H -2.968599 -1.486989 -0.459091
H -3.497830 -1.296446 1.249721
H -3.318328 2.167350 -1.149074
H -2.854618 0.601121 -1.903856
H -1.492043 0.010771 1.809997
H -1.014427 -1.547560 1.064195
H -0.847838 1.898139 -1.368511
H -1.378592 2.141073 0.335169
H 0.889528 2.169767 -0.107256
H -0.545253 -1.926222 -1.359140
H 3.845166 -3.418094 0.464818
H 2.605908 3.472387 -0.823025
H 0.147663 -4.312649 -1.640576
H 2.357740 -5.090315 -0.686648
H 5.963395 0.132231 0.749500
H 5.016131 4.093276 -0.778213
H 6.733882 2.411329 0.000789


