Add real ORCA 6.1.0 test data: pentane conformer EQE and a deep-tunnelling HAT - #21

Add real ORCA 6.1.0 test data: pentane conformer EQE and a deep-tunnelling HAT#21

bobbypaton merged 1 commit into

masterpatonlab/Kinisot:masterfrom

claude/serene-wright-bcwkr5patonlab/Kinisot:claude/serene-wright-bcwkr5Copy head branch name to clipboard