gthresh,energy=1.d-8 geometry={br;br,br,rmin} rmin=2.281 ANG basis={ ecp,Br,ecp10mdf sp,Br,aug-cc-pVTZ-PP;c; d,Br,338.996,103.217,42.3638,18.4356,8.37254,3.80222,1.68677,0.677520 c,1.8,0.001524,0.015673,0.072400,0.186303,0.323881,0.374534,0.257418,0.068051 d,Br,2.9173,0.6300,0.2228 f,Br,1.4417 set,dfmp s,Br,40.9778,22.0940,14.1569,6.30933,3.49893,2.07145,1.22411,0.706125,0.421245,0.235424,0.133413 p,Br,31.5779,17.7012,10.3673,5.56829,3.34725,1.86205,1.12814,0.520803,0.290648,0.155863 d,Br,35.4419,14.4095,7.13728,4.02429,2.19901,1.18121,0.537101,0.320289,0.151982 f,Br,16.6283,7.92639,3.69263,1.89967,1.02171,0.418748 g,Br,58.3022,21.9356,7.85160,5.60937,2.04334,1.37529 h,Br,7.51453,3.15089 set,ri s,Br,18.7563,9.07737,4.87021,2.00555,0.900841,0.080149 p,Br,26.0294,17.4402,5.55778,3.70554,2.47230,1.18351,0.511543,0.177391 d,Br,15.9542,11.4584,8.89027,1.44361,0.945611,0.334128 f,Br,42.4889,15.5186,10.3279,6.36172,2.80704,0.961178,0.415934 g,Br,24.3260,9.29525,3.78033,1.65385,0.919948 h,Br,18.4810,7.54637,2.84990,0.966374 i,Br,11.4466 } explicit,ri_basis=ri,df_basis=dfmp,df_basis_exch=def2-qzvpp/jkfit hf;accu,16 i=1 {mp2-f12,gem_beta=[1.25];core,2,1,1,,2,1,1} emp2f12(i)=energy-energr ef12_vv(i)=energ_vv ef12_cv(i)=energ_cv ef12_cc(i)=energ_cc $beta(i)='[1.25]' i=i+1 {mp2-f12,gem_beta=[0.8,1.7];core,2,1,1,,2,1,1} emp2f12(i)=energy-energr ef12_vv(i)=energ_vv ef12_cv(i)=energ_cv ef12_cc(i)=energ_cc $beta(i)='[0.8,1.7]' i=i+1 {mp2-f12,gem_beta=[0.8,1.7,2.2];core,2,1,1,,2,1,1} emp2f12(i)=energy-energr ef12_vv(i)=energ_vv ef12_cv(i)=energ_cv ef12_cc(i)=energ_cc $beta(i)='[0.8,1.7,2.2]' table,beta,ef12_cc,ef12_cv,ef12_vv,emp2f12 Title,Results for Br2, basis vdz-f12