%chk=pyrazine_BH2_p_tBuI.chk
%Mem=12000MB
%NProc=12
#p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput

coments

0 2
 C                 -0.24835000   -1.17763100   -0.00011100
 C                  1.12024500   -1.13520500   -0.00007300
 C                  1.12025000    1.13519500    0.00004900
 C                 -0.24836100    1.17762600   -0.00010400
 H                 -0.81341700   -2.10871400   -0.00003100
 H                  1.67292300   -2.07969900    0.00018400
 H                  1.67291500    2.07969700   -0.00001600
 H                 -0.81338000    2.10873900   -0.00033900
 N                 -1.00044000    0.00001600   -0.00006200
 N                  1.84927900    0.00000300    0.00013800
 B                 -2.42689800   -0.00000600    0.00013100
 H                 -2.82032140    0.96367962   -0.55568196
 H                 -2.82029179   -0.96325215   -0.55646417
 I                 -3.16328273   -0.00086316    2.08383846
 C                 -5.15928970    0.08250127    5.95332038
 C                 -6.68700914    0.10923662    5.76107431
 H                 -6.94169101    0.84851712    5.03066245
 H                 -7.02145912   -0.85109301    5.42819263
 H                 -7.15934425    0.34886161    6.69079438
 C                 -4.67757991    1.46545975    6.42974615
 H                 -5.15010937    1.70714992    7.35883267
 H                 -3.61615954    1.44677592    6.56367791
 H                 -4.93177651    2.20333975    5.69775080
 C                 -4.79296013   -0.97957449    7.00659988
 H                 -5.12787931   -1.94042309    6.67569339
 H                 -3.73147260   -0.99832655    7.13998879
 H                 -5.26500091   -0.73790926    7.93594127

--link1--
%chk=pyrazine_BH2_p_tBuI.chk
%Mem=12000MB
%NProc=12
#p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput