原子序号	$e_{k}$	$e_{k}^{- 1}$	$e_{k}^{+ 1}$	$f_{k}^{+}$	$f_{k}^{-}$	$Δ ω_{k}^{\pm}$
1C	−0.23927	−0.30085	−0.20371	0.06158	0.03556	0.00126
2C	−0.27887	−0.47852	−0.20787	0.19965	0.071	0.00623
3C	0.10114	−0.04885	0.16103	0.14999	0.05989	0.00436
4C	0.36214	0.32272	0.45859	0.03942	0.09645	−0.00276
5C	−0.2882	−0.37951	−0.28189	0.09131	0.00631	0.00412
6C	−0.27082	−0.24774	−0.08335	−0.02308	0.18747	−0.01020
7H	0.24787	0.22018	0.2928	0.02769	0.04493	−0.00083
8H	0.24162	0.22043	0.28368	0.02119	0.04206	−0.00101
9H	0.25938	0.23513	0.30471	0.02425	0.04533	−0.00102
10H	0.24833	0.21187	0.28977	0.03646	0.04144	−0.00024
11N	−0.86948	−1.08616	−0.63305	0.21668	0.23643	−0.00096
12H	0.43012	0.3781	0.46589	0.05202	0.03577	0.00079
13H	0.41787	0.33267	0.45835	0.0852	0.04048	0.00217
14F	−0.36181	−0.37842	−0.30496	0.01661	0.05685	−0.00195