diff --git a/src/cisd/30.cisd.bats b/src/cisd/30.cisd.bats index 099513be..d3b4ca94 100644 --- a/src/cisd/30.cisd.bats +++ b/src/cisd/30.cisd.bats @@ -70,7 +70,7 @@ function run() { @test "CH4" { qp_set_mo_class ch4.ezfio -core "[1]" -act "[2-30]" -del "[31-59]" - run ch4.ezfio -40.2403916383084 -39.8433214756675 + run ch4.ezfio -40.2403962667047 -39.8433221754964 } @test "CO2" {