%chk=000121059.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121059

0 1
 O    4.573500     -0.6637000     -3.9999999E-04
 N  -0.8457000      0.5843000      3.0000001E-04
 N   -1.767700     -0.3959000      1.2000001E-03
 N   -4.607900      -2.115100     -1.6000000E-03
 N   -3.807700       2.402900     -7.9999998E-04
 C   0.5286000      0.2674000      3.9999999E-04
 C    3.247200     -0.3583000     -3.0000001E-04
 C    1.479200       1.288200      1.9999999E-04
 C   0.9373000      -1.066200      3.0000001E-04
 C    2.838500      0.9753000     -1.9999999E-04
 C    2.296700      -1.379000      9.9999997E-05
 C    5.491400      0.4287000     -3.9999999E-04
 C   -3.016800     -6.7599997E-02  1.0000000E-03
 C   -3.895000      -1.199500      3.9999999E-04
 C   -3.451700       1.298500     -3.9999999E-04
 H    1.172500       2.331200      1.9999999E-04
 H   0.2253000      -1.887000      5.0000002E-04
 H    3.522900       1.816700     -3.9999999E-04
 H    2.609600      -2.419700      9.9999997E-05
 H   -1.099900       1.564800      8.9999998E-04
 H    5.399100       1.031900      0.9091000    
 H    5.398900       1.032000     -0.9099000    
 H    6.500200      3.1000001E-03 -5.0000002E-04


%chk=000121059-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121059

0 1
O 4.634998 -0.656058 -0.000075
N -0.875772 0.528202 -0.000048
N -1.794171 -0.443375 0.000011
N -4.894387 -2.034337 0.000241
N -3.825158 2.423238 0.000762
C 0.514259 0.230937 -0.000058
C 3.288742 -0.281656 -0.000070
C 1.432104 1.306451 -0.000110
C 0.982114 -1.109731 -0.000008
C 2.820111 1.056581 -0.000118
C 2.360808 -1.358370 -0.000013
C 5.643178 0.408680 -0.000123
C -3.104638 -0.110410 0.000034
C -4.070982 -1.165366 0.000154
C -3.552844 1.254717 -0.000030
H 1.071380 2.342610 -0.000147
H 0.261369 -1.930884 0.000033
H 3.513764 1.901404 -0.000162
H 2.748926 -2.380906 0.000024
H -1.155402 1.524713 -0.000094
H 5.559872 1.040069 0.905501
H 5.559857 1.040000 -0.905795
H 6.610374 -0.113508 -0.000111


