
! RKS RIJCOSX AutoAux TightSCF DEFGRID3 

%MaxCore    4000

%pal
nproc 4
end

%method
UseFinalGrid False
end

%method
  Functional R2SCAN
  ScalHFX = 0.69336
  ScalDFX = 0.30664
  ScalGGAC = 0.66667
  ScalLDAC = 0.66667
  ScalMP2C = 0.33333
end

%scf
 MaxIter=100
end

%mp2
  RI true
end

*xyzfile  0 2 tbu.xyz

%basis
NewGTO 1
S 3
1 13.010701000 0.19682158000e-01
2 1.9622572000 0.13796524000
3 0.44453796000 0.47831935000
S 1
1 0.4617867850E+00 0.1000000000E+01
P 1
1 0.80000000000 1.0000000
P 1
1 0.7913402419E-01 0.1000000000E+01
 end
NewGTO 6
S 5
1 1238.4016938 0.54568832082e-02
2 186.29004992 0.40638409211e-01
3 42.251176346 0.18025593888
4 11.676557932 0.46315121755
5 3.5930506482 0.44087173314
S 1
1 0.40245147363 1.0000000
S 1
1 0.13090182668 1.0000000
S 1
1 0.67053540256e-01 1.0000000
P 3
1 9.4680970621 0.38387871728e-01
2 2.0103545142 0.21117025112
3 0.54771004707 0.51328172114
P 1
1 0.1508036550E+00 0.1000000000E+01
D 1
1 0.80000000000 1.0000000
D 1
1 0.3229294790E+00 0.1000000000E+01
 end
end
