MOLPRO Basis Query (current), basis=ROOS_DZP

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 I Iodine atom                                                        *
 Relativistic Contraction based on CASSCF/CASPT2 using the            *
 Douglas-Kroll Hamiltonian.                                           *
 Active space 5s and 5p orbitals. 4d correlated in CASPT2             *
 Basic primitive: 20s18p11d from  K. Faegri                           *
                                                                      *
 Augmented: 2s with exponent 0.40x lowest exponent                    *
            1p with exponent 0.40x lowest exponent                    *
            2d with exponent 0.40x lowest exponent                    *
            5f two for 3d and three more diffuse. Optimized CASPT2    *
            3g with exponents 1.25 times f                            *
                                                                      *
 Contraction: State         Field  Method  Weight                     *
              I(2P,s2p5)   0.000  CASPT2  1/6                         *
              I+(3P,s2p4)  0.000  CASPT2  1/6                         *
              I-(1S,s2p6)  0.000  CASPT2  1/6                         *
              I(GS)        0.010  CASPT2  1/2                         *
                                                                      *
 Contraction range: 5s4p2d - 10s9p8d5f3g                              *
 Results(eV)                                                          *
 Contraction           CASPT2(I,2P)      IP        EA                 *
 MB: 5s4p2d           -7110.8575954226  10.377   1.531 	       *
 DZP:6s5p3d1f         -7111.2914326200  10.169   2.728 	       *
 TZP:7s6p4d2f1g       -7111.4477721844  10.342   3.032 	       *
 QZP:8s7p5d4f2g       -7111.5054663387  10.431   3.158 	       *
 large:10s9p8d5f2g    -7111.5241835620  10.457   3.212 	       *
 Primitive:           -7111.5246568106  10.448   3.212 	       *
 Expt.(J-averaged)     	   	 10.522   3.373                *