diff --git a/tests/formic/formic_acid3.end b/tests/formic/formic_acid3.end new file mode 100644 index 0000000..e69de29 diff --git a/tests/formic/formic_acid3.mop b/tests/formic/formic_acid3.mop new file mode 100644 index 0000000..cdae619 --- /dev/null +++ b/tests/formic/formic_acid3.mop @@ -0,0 +1,8 @@ +AM1 +Formic acid +Example of normal geometry definition +O 0.0000 0.0000 0.0000 +C 1.2000 0.0000 0.0000 +O 1.7952 1.1782 0.0000 +H 1.3156 2.0328 0.0000 +H 1.8726 -0.8830 0.0000