Merge pull request #204 from oliver-s-lee/orca6-migration

Added old Orca 4.x main tests to regressions

Author: berquist

ORCA/ORCA4.1/Trp_polar.out

@@ -0,0 +1,33 @@
+! rks b3lyp sto-3g usesym opt
+
+%output
+ printlevel normal
+ print[ p_mos ] 1
+ print[ p_overlap ] 1
+ end 
+
+* xyz 0 1
+ C       -1.4152533224   0.2302217854   0.0000000000
+ C        1.4152533224  -0.2302217854   0.0000000000
+ C       -0.4951331558   1.3144608674   0.0000000000
+ C        0.4951331558  -1.3144608674   0.0000000000
+ C        0.8894090436   1.0909493743   0.0000000000
+ C       -0.8894090436  -1.0909493743   0.0000000000
+ H       -0.8795511985   2.3437343748   0.0000000000
+ H        0.8795511985  -2.3437343748   0.0000000000
+ H        1.5779041557   1.9450061275   0.0000000000
+ H       -1.5779041557  -1.9450061275   0.0000000000
+ C        2.8845844962  -0.5210893778   0.0000000000
+ C       -2.8845844962   0.5210893778   0.0000000000
+ H        3.1403356810  -1.5919605685   0.0000000000
+ H       -3.1403356810   1.5919605685   0.0000000000
+ C        3.8800428103   0.3822535424   0.0000000000
+ C       -3.8800428103  -0.3822535424   0.0000000000
+ H        3.6946765858   1.4624389570   0.0000000000
+ H       -3.6946765858  -1.4624389570   0.0000000000
+ H        4.9316453546   0.0711049543   0.0000000000
+ H       -4.9316453546  -0.0711049543   0.0000000000
+*
+%pal
+ nprocs 4
+end