All basis sets in the database have been thoroughly tested. Some have been adapted if this was deemed necessary after unsatisfactory results in our diatomic tests. The new basis sets are called SZ-TZ2P instead of I-V as we consider the new names more descriptive. In addition, large basis sets, such as ZORA/QZ and the even-tempered basis sets designed by Prof. Del Chong in the ET directory are made available. Basis sets with diffuse functions are also available in the ET subdirectory. Please check the Basis Sets document to find details on the test results and on the changes.
