diff --git a/src/fci/40.fci.bats b/src/fci/40.fci.bats index f2c78067..864a9d59 100644 --- a/src/fci/40.fci.bats +++ b/src/fci/40.fci.bats @@ -59,13 +59,13 @@ function run_stoch() { @test "HCO" { # 12.2868s qp set_file hco.ezfio - run -113.389297812482 6.e-4 100000 + run -113.393356604085 6.e-4 100000 } @test "H2O2" { # 12.9214s qp set_file h2o2.ezfio qp set_mo_class --core="[1-2]" --act="[3-24]" --del="[25-38]" - run -151.00467 1.e-4 100000 + run -151.005848404095 1.e-4 100000 } @test "HBO" { # 13.3144s