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Fixed CISD test
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@ -29,7 +29,7 @@ function run() {
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@test "[Cu(NH3)4]2+" {
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qp_set_mo_class cu_nh3_4_2plus.ezfio -core "[1-24]" -act "[25-45]" -del "[46-87]"
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run cu_nh3_4_2plus.ezfio -1862.98685486633 -1862.68819645070
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run cu_nh3_4_2plus.ezfio -1862.98686836443 -1862.68820041268
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}
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@test "C2H2" {
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