原子序号	$e_{k}$	$e_{k}^{- 1}$	$e_{k}^{+ 1}$	$f_{k}^{+}$	$f_{k}^{-}$	$Δ ω_{k}^{\pm}$
1C	−0.22395	−0.24848	−0.2166	0.02453	0.00735	0.01708
2C	−0.23696	−0.35346	−0.21373	0.1165	0.02323	0.09272
3C	−0.03847	−0.04842	0.00395	0.00995	0.04242	−0.03228
4C	−0.23696	−0.35346	−0.21373	0.1165	0.02323	0.09272
5C	−0.22395	−0.24848	−0.2166	0.02453	0.00735	0.01708
6C	−0.24806	−0.26025	−0.15101	0.01219	0.09705	−0.08436
7H	0.23703	0.22416	0.26831	0.01287	0.03128	−0.01830
8H	0.23151	0.22316	0.25308	0.00835	0.02157	−0.01314
9H	0.23151	0.22316	0.25308	0.00835	0.02157	−0.01314
10H	0.23703	0.22416	0.26831	0.01287	0.03128	−0.01830
11H	0.23757	0.22069	0.26766	0.01688	0.03009	−0.01313
12C	−0.44737	−0.60866	−0.4896	0.16129	−0.04223	0.20233
13H	0.23230	0.22423	0.27429	0.00807	0.04199	−0.03372
14H	0.2323	0.22423	0.27429	0.00807	0.04199	−0.03372
15C	−0.18877	−0.26613	−0.27704	0.07736	−0.08827	0.16466
16H	0.21254	0.20488	0.27122	0.00766	0.05868	−0.05072
17H	0.21254	0.20488	0.27122	0.00766	0.05868	−0.05072
18C	−0.1998	−0.2952	−0.2975	0.09542	−0.09774	0.19203
19C	−0.19979	−0.29521	−0.29753	0.09542	−0.09774	0.19203
20C	−0.54059	−0.56467	−0.57534	0.02408	−0.03475	0.05849
21H	0.19488	0.18244	0.27889	0.01244	0.08401	−0.07115
22H	0.22962	0.22107	0.27396	0.00855	0.04434	−0.03558
23C	−0.54059	−0.56467	−0.57534	0.02408	−0.03475	0.05849
24H	0.19488	0.18244	0.27889	0.01244	0.08401	−0.07115
25H	0.22962	0.22107	0.27396	0.00855	0.04434	−0.03558
26C	0.68611	0.68641	0.56992	−0.0003	−0.11619	0.11521
27H	0.25152	0.23853	0.29622	0.01299	0.0447	−0.03152
28H	0.24829	0.24318	0.27965	0.00511	0.03136	−0.02610
29H	0.25152	0.23853	0.29622	0.01299	0.0447	−0.03152
30H	0.24829	0.24318	0.27965	0.00511	0.03136	−0.02610
31N	−0.63416	−0.65091	−0.21263	0.01675	0.42153	−0.40241
32O	−0.63965	−0.67234	−0.4961	0.03269	0.14355	−0.11021