		CCSD GCDA^a				CCSD CDA^b
轨道	占据数	d	b	d-b	r	d	b	d-b	r
1	2.000	0.002	−0.001	0.003	−0.003	0.002	−0.001	0.003	-0.003
2	2.000	0.000	−0.002	0.001	−0.002	0.000	−0.002	0.001	-0.002
3	2.000	0.000	0.000	0.000	0.001	0.000	0.000	0.000	0.001
4	1.984	0.014	−0.002	0.016	0.013	0.014	−0.002	0.016	0.013
5	1.973	0.013	−0.026	0.039	0.397	0.016	−0.031	0.047	0.405
6	1.970	0.004	−0.007	0.011	0.026	0.004	−0.008	0.011	0.027
7	1.955	0.001	0.054	−0.052	0.087	0.001	0.058	−0.057	0.082
8	1.955	0.001	0.054	−0.052	0.087	0.001	0.058	−0.057	0.082
9	1.953	0.286	0.039	0.247	−0.690	0.294	0.045	0.249	-0.712
10	1.948	−0.004	0.006	−0.010	−0.112	−0.004	0.004	−0.007	-0.110
11	1.948	−0.004	0.006	−0.010	−0.112	−0.004	0.004	−0.007	-0.110
12	0.054	0.000	−0.002	0.002	0.000	0.000	−0.002	0.002	0.000
13	0.054	0.000	−0.002	0.002	0.000	0.000	−0.002	0.002	0.000
14	0.024	−0.004	0.000	−0.004	−0.001	−0.004	0.000	−0.004	-0.001
15	0.019	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000
略...
上列轨道总和		0.308	0.116	0.193	−0.310	0.320	0.122	0.198	−0.328
全部轨道总和		0.296	0.108	0.189	−0.322	0.308	0.114	0.194	−0.340