atom	$q_{k} (N + 1)$	$q_{k} (N)$	$q_{k} (N - 1)$	$f_{k}^{+}$	$f_{k}^{-}$	$Δ f_{k} (r)$
1 C	0.208346	0.208888	0.204576	−0.000542	0.004312	−0.004854
2 C	0.018775	0.000063	−0.016959	0.018712	0.017022	0.00169
3 C	0.299539	0.292711	0.281844	0.006828	0.010867	−0.004039
4 C	0.046462	0.037318	0.029369	0.009144	0.007949	0.001195
5 H	0.207505	0.193905	0.179352	0.0136	0.014553	−0.000953
6 H	0.179646	0.159773	0.139164	0.019873	0.020609	−0.000736
7 C	−0.508075	−0.50687	−0.505302	−0.001205	−0.001568	0.000363
8 H	0.19998	0.186173	0.171425	0.013807	0.014748	−0.000941
9 H	0.203598	0.189781	0.175425	0.013817	0.014356	−0.000539
10 H	0.175481	0.164012	0.151791	0.011469	0.012221	−0.000752
11 N	−0.439963	−0.453069	−0.466947	0.013106	0.013878	−0.000772
12 N	−0.458297	−0.452885	−0.455695	−0.005412	0.00281	−0.008222
13 C	0.566855	0.550059	0.52607	0.016796	0.023989	−0.007193
14 N	−0.715656	−0.716793	−0.707044	0.001137	−0.009749	0.010886
15 C	−0.290102	−0.360821	−0.358308	0.070719	−0.002513	0.073232
16 C	−0.47359	−0.512709	−0.525136	0.039119	0.012427	0.026692
17 C	−0.129222	−0.133729	−0.108148	0.004507	−0.025581	0.030088
18 C	−0.183189	−0.197291	−0.202209	0.014102	0.004918	0.009184
19 C	−0.249861	−0.251301	−0.256756	0.00144	0.005455	−0.004015
20 C	−0.023031	−0.024674	−0.022889	0.001643	−0.001785	0.003428
21 C	−0.142764	−0.145169	−0.15742	0.002405	0.012251	−0.009846
22 C	−0.122904	−0.139501	−0.136151	0.016597	−0.00335	0.019947
23 H	0.22121	0.195621	0.183868	0.025589	0.011753	0.013836