atom	$q_{k} (N + 1)$	$q_{k} (N)$	$q_{k} (N - 1)$	$f_{k}^{+}$	$f_{k}^{-}$	$Δ f_{k} (r)$
1 C	−0.113896	−0.128239	−0.136576	0.014343	0.008337	0.006006
2 C	−0.153185	−0.160351	−0.160952	0.007166	0.000601	0.006565
3 C	−0.128871	−0.117975	−0.092014	−0.010896	−0.025961	0.015065
4 C	−0.136268	−0.158123	−0.158767	0.021855	0.000644	0.021211
5 C	−0.130301	−0.14272	−0.151753	0.012419	0.009033	0.003386
6 C	−0.062419	−0.071023	−0.075527	0.008604	0.004504	0.0041
7 H	0.1872	0.145508	0.118981	0.041692	0.026527	0.015165
8 H	0.138595	0.116631	0.114588	0.021964	0.002043	0.019921
9 H	0.230501	0.199241	0.184904	0.03126	0.014337	0.016923
10 H	0.198351	0.155119	0.12508	0.043232	0.030039	0.013193
11 Cl	0.067729	−0.026445	−0.079736	0.094174	0.053291	0.040883
12 S	1.0024	0.87433	0.822842	0.12807	0.051488	0.076582
13 N	−0.696713	−0.713016	−0.730488	0.016303	0.017472	−0.001169
14 N	−0.660934	−0.685025	−0.655434	0.024091	−0.029591	0.053682
15 C	−0.095675	−0.139918	−0.19329	0.044243	0.053372	−0.009129
16 C	−0.396184	−0.379851	−0.405925	−0.016333	0,026074	−0.042407
17 C	−0.464976	−0.454883	−0.4641	−0.010093	0.009217	−0.01931
18 C	0.766023	0.753065	0.729029	0.012958	0.024036	−0.011078
19 O	−0.372774	−0.458655	−0.557838	0.085881	0.099183	−0.013302
20 O	−0.27058	−0.290822	−0.360331	0.020242	0.069509	−0.049267
21 O	−0.273249	−0.31759	−0.321473	0.044341	0.003883	0.040458
22 H	0.341417	0.3197	0.300627	0.021717	0.019073	0.002644
23 H	0.257081	0.246558	0.232444	0.010523	0.014114	−0.003591
24 H	0.296466	0.251505	0.167179	0.044961	0.084326	−0.039365
25 H	0.170276	0.138298	0.120989	0.031978	0.017309	0.014669
26 H	0.344348	0.24117	0.144301	0.103178	0.096869	0.006309
27 H	0.198034	0.118959	0.059465	0.079075	0.059494	0.019581
28 H	0.212141	0.173832	0.110065	0.038309	0.063767	−0.025458
29 H	0.186858	0.144775	0.120451	0.042083	0.024324	0.017759
30 H	0.358603	0.325946	0.29326	0.032657	0.032686	0.069971