SP test: fix ORCA basis number now that tests are run with STO-3G
SP test: fix comment about basis function
SP test: remove ORCA-specific SCF energy now that STO-3G is used
GeoOptTest: remove ORCA specific basis/energy now that it's STO-3G
Merge pull request #43 from ATenderholt/fix_orca

Some fixes to the ORCA unit tests