diff --git a/src/fci/40.fci.bats b/src/fci/40.fci.bats index f86c7488..89effe4f 100644 --- a/src/fci/40.fci.bats +++ b/src/fci/40.fci.bats @@ -59,7 +59,7 @@ function run_stoch() { @test "HCO" { # 12.2868s qp set_file hco.ezfio - run -113.390292448857 3.e-4 100000 + run -113.389297812482 6.e-4 100000 } @test "H2O2" { # 12.9214s