[2,2]-Paracyclophane, C16H16, D. Stalke, Georg-August-Universität Göttingen, Germany, Chem. Eur. J. 21 (2015) 4556–4560
C (CM-1)    COUNTS    ERROR
24.2571	1.88344	0.124162
24.3784	2.11749	0.134037
24.5003	2.11476	0.132087
24.6228	1.95247	0.122201
24.7459	2.11075	0.127559
24.8696	2.03245	0.12211
24.994	2.0315	0.121619
25.119	2.04024	0.121444
25.2446	1.91214	0.114387
25.3708	2.25371	0.123745
25.4976	2.09146	0.121514
25.6251	2.0486	0.118232
25.7533	2.04803	0.117428
25.882	2.09495	0.120138
26.0114	2.12568	0.1171
26.1415	1.9585	0.10841
26.2722	1.96977	0.110637
26.4036	2.06183	0.111306
26.5356	2.025	0.111223
26.6682	1.97329	0.108254
26.8016	2.10657	0.110586
26.9356	2.05948	0.110565
27.0703	2.0904	0.111325
27.2056	2.1991	0.111039
27.3417	2.13407	0.110452
27.4784	2.08094	0.107004
27.6158	2.23035	0.111042
27.7538	2.0663	0.105613
27.8926	2.16854	0.108619
28.0321	2.13318	0.105082
28.1722	2.28332	0.109287
28.3131	2.25016	0.106945
28.4547	2.12997	0.102554
28.5969	2.07345	0.101214
28.7399	2.23775	0.105079
28.8836	2.14433	0.101241
29.028	2.15949	0.100958
29.1732	2.15585	0.101162
29.319	2.22395	0.101233
29.4656	1.98389	0.0944849
29.613	2.13174	0.0987678
29.761	1.98332	0.0924116
29.9098	1.93242	0.0916568
30.0594	2.13145	0.0956351
30.2097	2.10135	0.0953701
30.3607	2.22745	0.0969498
30.5125	2.15139	0.0951884
30.6651	2.2814	0.0981151
30.8184	2.23752	0.0944206
30.9725	2.16635	0.0926593
31.1274	2.08034	0.0916853
31.283	2.27464	0.0949353
31.4394	2.15292	0.0908982
31.5966	2.09607	0.0893165
31.7546	2.21656	0.09142
31.9134	2.15322	0.0884533
32.0729	2.20516	0.0900982
32.2333	2.19612	0.0885096
32.3945	2.14459	0.0868329
32.5564	2.11813	0.0864585
32.7192	2.06982	0.0845177
32.8828	2.05554	0.0831801
33.0472	2.24265	0.0871683
33.2125	2.433	0.0906177
33.3785	2.15822	0.084365
33.5454	2.11402	0.0826049
33.7132	2.20562	0.0836006
33.8817	2.12583	0.0819716
34.0511	2.29062	0.0846021
34.2214	2.10678	0.0808631
34.3925	2.2712	0.0837837
34.5645	2.14497	0.0803327
34.7373	2.1549	0.0808608
34.911	2.18344	0.0808519
35.0855	2.12097	0.0789227
35.2609	2.26241	0.0812258
35.4373	2.12586	0.0777037
35.6144	2.25193	0.0798838
35.7925	2.24287	0.079254
35.9715	2.14793	0.0771743
36.1513	2.09728	0.0763492
36.3321	2.17809	0.0759644
36.5137	2.29832	0.0786049
36.6963	2.21054	0.0764525
36.8798	2.12192	0.0750228
37.0642	2.11012	0.0740622
37.2495	2.18858	0.0750521
37.4358	2.12426	0.073348
37.6229	2.19514	0.0741659
37.8111	1.99228	0.0703871
38.0001	2.04825	0.0709168
38.1901	2.11747	0.0722031
38.3811	2.06704	0.0706232
38.573	2.0594	0.0701558
38.7658	2.06295	0.0700352
38.9597	2.10777	0.0702435
39.1545	2.08002	0.0693177
39.3502	1.96313	0.0668443
39.547	2.065	0.0683031
39.7447	2.03627	0.0677244
39.9434	2.03694	0.0672173
40.1432	2.01535	0.0664174
40.3439	1.87152	0.0637453
40.5456	2.01343	0.0657965
40.7483	2.0043	0.0653843
40.9521	1.92151	0.0636639
41.1568	1.90675	0.063129
41.3626	1.9738	0.063938
41.5694	1.98564	0.0637246
41.7773	1.94181	0.0628657
41.9862	1.9829	0.0629677
42.1961	1.97546	0.0627799
42.4071	1.89578	0.0612835
42.6191	1.8934	0.0610475
42.8322	1.94079	0.0614684
43.0464	1.95835	0.0613353
43.2616	1.79675	0.0587188
43.4779	1.87233	0.0596279
43.6953	1.8724	0.0592408
43.9138	1.88194	0.0592088
44.1333	1.85428	0.0585913
44.354	1.92156	0.0593417
44.5758	1.79755	0.0571306
44.7987	1.83203	0.0573317
45.0226	1.81916	0.0568595
45.2478	1.7908	0.0562962
45.474	1.71493	0.0547744
45.7014	1.84544	0.0566736
45.9299	1.75159	0.0548761
46.1595	1.73048	0.0545744
46.3903	1.72535	0.0542043
46.6223	1.6607	0.0529106
46.8554	1.72926	0.0537057
47.0897	1.69958	0.0530594
47.3251	1.6299	0.0518453
47.5617	1.60758	0.0513123
47.7995	1.60677	0.0508405
48.0385	1.56456	0.0501926
48.2787	1.66818	0.0517664
48.5201	1.51021	0.0489804
48.7627	1.55963	0.0497825
49.0065	1.51299	0.0486924
49.2516	1.56905	0.0494433
49.4978	1.51765	0.0483057
49.7453	1.45397	0.0473494
49.994	1.44126	0.0468472
50.244	1.42524	0.0463901
50.4952	1.46992	0.0470729
50.7477	1.46495	0.0466921
51.0015	1.45486	0.0463626
51.2565	1.4696	0.0464483
51.5127	1.34651	0.0443284
51.7703	1.41659	0.0453213
52.0292	1.37594	0.0446527
52.2893	1.30474	0.043194
52.5507	1.40128	0.0446012
52.8135	1.28408	0.0425666
53.0776	1.38587	0.0442324
53.343	1.32601	0.043037
53.6097	1.29998	0.0425437
53.8777	1.3549	0.0432195
54.1471	1.35068	0.0430847
54.4178	1.35733	0.0430059
54.6899	1.38801	0.0433927
54.9634	1.30379	0.0419061
55.2382	1.37181	0.0429
55.5144	1.32445	0.0419936
55.792	1.38709	0.0429155
56.0709	1.31276	0.0416038
56.3513	1.42242	0.0432095
56.633	1.40756	0.0428668
56.9162	1.41658	0.0427963
57.2008	1.42411	0.0428503
57.4868	1.48315	0.0435408
57.7742	1.50004	0.0437383
58.0631	1.53355	0.0440901
58.3534	1.51315	0.0435988
58.6452	1.5491	0.0439796
58.9384	1.54403	0.0438574
59.2331	1.54264	0.0437471
59.5293	1.51109	0.0430556
59.8269	1.57185	0.0437241
60.126	1.53445	0.0430667
60.4267	1.53649	0.0429822
60.7288	1.54061	0.0430135
61.0324	1.58792	0.0435431
61.3376	1.5311	0.0425389
61.6443	1.56598	0.0429005
61.9525	1.54209	0.0424665
62.2623	1.56642	0.0426245
62.5736	1.44687	0.0408751
62.8865	1.57572	0.0424853
63.2009	1.53685	0.041888
63.5169	1.48095	0.0409342
63.8345	1.49611	0.0409894
64.1537	1.50523	0.041049
64.4744	1.52921	0.0412056
64.7968	1.47399	0.0403243
65.1208	1.52712	0.0410024
65.4464	1.53905	0.0410721
65.7736	1.48865	0.0401905
66.1025	1.53328	0.0406284
66.433	1.51636	0.0402985
66.7652	1.48735	0.0398074
67.099	1.52797	0.0402845
67.4345	1.50063	0.0397583
67.7716	1.47386	0.0392855
68.1105	1.4162	0.038463
68.4511	1.41847	0.0383424
68.7933	1.45294	0.0386447
69.1373	1.4332	0.0382886
69.483	1.43147	0.0382334
69.8304	1.47937	0.0387071
70.1795	1.39393	0.0374976
70.5304	1.33236	0.0364929
70.8831	1.38754	0.0371961
71.2375	1.2989	0.0358623
71.5937	1.24416	0.0349928
71.9517	1.34703	0.0362907
72.3114	1.33998	0.0361155
72.673	1.35346	0.0361942
73.0363	1.27028	0.0349459
73.4015	1.26464	0.034723
73.7685	1.25609	0.0345152
74.1374	1.26818	0.034631
74.5081	1.23279	0.0340899
74.8806	1.1806	0.0331957
75.255	1.19221	0.0332829
75.6313	1.24631	0.0338914
76.0094	1.18312	0.0329196
76.3895	1.13876	0.032276
76.7714	1.10106	0.0316218
77.1553	1.1128	0.0317197
77.5411	1.04781	0.0307272
77.9288	1.04414	0.0305604
78.3184	1.05314	0.0306001
78.71	0.988247	0.0296036
79.1035	0.973836	0.0293247
79.4991	0.980699	0.0293763
79.8966	0.990389	0.029408
80.296	0.939186	0.0285512
80.6975	0.942175	0.0285705
81.101	0.893868	0.0277278
81.5065	0.888208	0.0276013
81.9141	0.953541	0.0285522
82.3236	0.905747	0.027716
82.7352	0.89263	0.0274753
83.1489	0.792681	0.0257967
83.5647	0.8234	0.0262491
83.9825	0.836766	0.0264055
84.4024	0.8336	0.0263193
84.8244	0.796287	0.0256505
85.2485	0.807839	0.0257945
85.6748	0.750288	0.0248212
86.1031	0.738128	0.0246013
86.5337	0.727923	0.0243213
86.9663	0.74067	0.0244795
87.4012	0.708022	0.0239149
87.8382	0.668306	0.0231302
88.2774	0.702171	0.0236764
88.7187	0.641824	0.0225897
89.1623	0.675882	0.0231226
89.6082	0.66523	0.0229175
90.0562	0.666354	0.0228703
90.5065	0.625515	0.022079
90.959	0.64146	0.0222767
91.4138	0.632316	0.0220508
91.8709	0.621506	0.0218158
92.3302	0.645899	0.0222369
92.7919	0.572225	0.0207893
93.2558	0.5642	0.0206555
93.7221	0.609439	0.021408
94.1907	0.552004	0.0202849
94.6617	0.612841	0.0213168
95.135	0.584416	0.0207173
95.6107	0.596261	0.0209132
96.0887	0.551707	0.0200516
96.5692	0.553948	0.0200115
97.052	0.573129	0.0202821
97.5373	0.598173	0.0205975
98.0249	0.549026	0.0196807
98.5151	0.525232	0.0192396
99.0076	0.518498	0.019098
99.5027	0.510844	0.0188376
100	0.552766	0.019532
100.5	0.50703	0.018606
101.003	0.523746	0.0188906
101.508	0.488477	0.0181836
102.015	0.478236	0.017911
102.525	0.52136	0.0186983
103.038	0.486024	0.0179188
103.553	0.491504	0.0180441
104.071	0.483787	0.0178687
104.591	0.457592	0.0172391
105.114	0.460839	0.0172866
105.64	0.445241	0.0169588
106.168	0.439759	0.0168291
106.699	0.417512	0.0163589
107.232	0.415613	0.0162486
107.768	0.413108	0.0161393
108.307	0.429265	0.0164448
108.849	0.400348	0.0158355
109.393	0.384008	0.0154674
109.94	0.390786	0.0155954
110.49	0.416402	0.0160284
111.042	0.382524	0.0152806
111.597	0.390287	0.0154368
112.155	0.363647	0.014859
112.716	0.354034	0.0145819
113.28	0.35809	0.0146656
113.846	0.36028	0.0147034
114.415	0.340179	0.014227
114.987	0.33711	0.0141217
115.562	0.346269	0.0142758
116.14	0.33909	0.01408
116.721	0.327515	0.0138321
117.305	0.298959	0.0131616
117.891	0.298168	0.0131247
118.481	0.302351	0.0131771
119.073	0.32526	0.0136323
119.668	0.331394	0.0137406
120.267	0.315765	0.0133569
120.868	0.310224	0.0131668
121.472	0.289065	0.0127194
122.08	0.292843	0.0127267
122.69	0.301059	0.0128885
123.304	0.29747	0.0128088
123.92	0.286619	0.0125614
124.54	0.271274	0.0121644
125.162	0.283904	0.0124128
125.788	0.296811	0.0126557
126.417	0.288412	0.0124046
127.049	0.286337	0.0123102
127.684	0.282637	0.0122057
128.323	0.283864	0.0122462
128.964	0.3062	0.0126657
129.609	0.275463	0.0119718
130.257	0.271541	0.0118831
130.909	0.274663	0.0118841
131.563	0.265549	0.0116794
132.221	0.263055	0.0115806
132.882	0.271614	0.0117315
133.546	0.25768	0.0114236
134.214	0.262241	0.0114524
134.885	0.265264	0.0115222
135.56	0.276739	0.0117547
136.238	0.250179	0.0111358
136.919	0.250261	0.011103
137.603	0.258577	0.0112457
138.291	0.253399	0.0111271
138.983	0.275887	0.0115721
139.678	0.251458	0.0110158
140.376	0.244709	0.0108545
141.078	0.242762	0.0107861
141.783	0.275236	0.0114186
142.492	0.249034	0.0108857
143.205	0.242751	0.0107042
143.921	0.250423	0.0108338
144.64	0.260412	0.0110207
145.364	0.251504	0.0108058
146.09	0.245165	0.0106311
146.821	0.244696	0.0106073
147.555	0.243418	0.010575
148.293	0.237442	0.0103732
149.034	0.248634	0.0106028
149.779	0.251799	0.0106329
150.528	0.270448	0.0109857
151.281	0.272426	0.0109841
152.037	0.310229	0.011706
152.797	0.333145	0.0121244
153.561	0.368329	0.0127201
154.329	0.402708	0.0132599
155.101	0.388975	0.0130067
155.876	0.371879	0.0126731
156.656	0.371122	0.0126237
157.439	0.365922	0.0125147
158.226	0.360601	0.0123862
159.017	0.342701	0.0120756
159.812	0.333071	0.0118518
160.612	0.291753	0.0110778
161.415	0.330833	0.0117793
162.222	0.333219	0.0117715
163.033	0.311027	0.0113607
163.848	0.352121	0.0120622
164.667	0.384007	0.0125518
165.491	0.395881	0.0127225
166.318	0.40922	0.0129139
167.15	0.426732	0.0131635
167.985	0.438762	0.0133129
168.825	0.475801	0.013822
169.669	0.473527	0.0137918
170.518	0.483138	0.0139017
171.37	0.480583	0.0138543
172.227	0.451547	0.0134013
173.088	0.424121	0.0129649
173.954	0.397432	0.0125405
174.823	0.397508	0.0125016
175.698	0.342173	0.0116055
176.576	0.328433	0.0113336
177.459	0.308303	0.0109756
178.346	0.282601	0.0104819
179.238	0.243181	0.00968724
180.134	0.239463	0.00961972
181.035	0.221048	0.00922232
181.94	0.224055	0.00924332
182.85	0.216137	0.00906055
183.764	0.200204	0.00870814
184.683	0.194075	0.00856013
185.606	0.203523	0.00874241
186.534	0.201296	0.00867497
187.467	0.201783	0.00868316
188.404	0.191796	0.00842861
189.346	0.207837	0.00875264
190.293	0.196044	0.00850279
191.244	0.215857	0.00889211
192.201	0.191683	0.00837317
193.162	0.176941	0.00803374
194.128	0.197476	0.00847364
195.098	0.196236	0.0084058
196.074	0.189186	0.00826229
197.054	0.189674	0.00825547
198.039	0.211043	0.0086715
199.029	0.188847	0.00821148
200.025	0.179478	0.00797654
201.025	0.198789	0.00838933
202.03	0.182255	0.00801412
203.04	0.187802	0.00809777
204.055	0.189939	0.00813192
205.075	0.195496	0.00821283
206.101	0.201023	0.00831879
207.131	0.186463	0.00799783
208.167	0.20137	0.00830371
209.208	0.195444	0.00816799
210.254	0.204139	0.00832419
211.305	0.203902	0.00830218
212.362	0.192871	0.00807294
213.424	0.183466	0.00786286
214.491	0.210736	0.00841289
215.563	0.220909	0.00859269
216.641	0.213643	0.00844998
217.724	0.219523	0.00853979
218.813	0.225136	0.00864722
219.907	0.252908	0.00914155
221.006	0.260913	0.00926791
222.111	0.270822	0.00939134
223.222	0.29824	0.0098416
224.338	0.350835	0.010667
225.46	0.399818	0.0113592
226.587	0.455265	0.0120962
227.72	0.513797	0.0128274
228.859	0.536431	0.0130962
230.003	0.537891	0.0130962
231.153	0.482346	0.0123869
232.309	0.46417	0.012135
233.47	0.429474	0.01165
234.638	0.426582	0.0115785
235.811	0.421438	0.0115082
236.99	0.424926	0.0115049
238.175	0.406552	0.0112384
239.366	0.361992	0.0106097
240.562	0.301034	0.0096541
241.765	0.262492	0.00899635
242.974	0.238734	0.00858578
244.189	0.225338	0.00831128
245.41	0.225553	0.00832415
246.637	0.21786	0.00817466
247.87	0.21775	0.00814993
249.109	0.213748	0.0080647
250.355	0.208187	0.00793935
251.607	0.222894	0.00821018
252.865	0.203455	0.007824
254.129	0.211771	0.00797589
255.4	0.233901	0.00836492
256.677	0.228703	0.00825745
257.96	0.236806	0.0083902
259.25	0.216617	0.00800921
260.546	0.223014	0.00810623
261.849	0.225962	0.0081543
263.158	0.235839	0.00831981
264.474	0.228328	0.00815347
265.796	0.226105	0.00811097
267.125	0.233793	0.00822805
268.461	0.230147	0.00815641
269.803	0.229228	0.00812192
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2897.96	0.346807	0.0145503
2912.45	0.363646	0.0149008
2927.01	0.360411	0.0148685
2941.65	0.373974	0.0151397
2956.36	0.392558	0.0154987
2971.14	0.423884	0.0161478
2985.99	0.422946	0.0161388
3000.92	0.417984	0.0160741
3015.93	0.448208	0.0166731
3031.01	0.439257	0.0165113
3046.16	0.416943	0.0160763
3061.39	0.423726	0.0162195
3076.7	0.41775	0.0161162
3092.08	0.384159	0.0154329
3107.54	0.378351	0.0153379
3123.08	0.368421	0.0151268
3138.7	0.338987	0.0145611
3154.39	0.3102	0.0139642
3170.16	0.310507	0.0139641
3186.01	0.328435	0.0143833
3201.94	0.308409	0.0139761
3217.95	0.31042	0.0140583
3234.04	0.302314	0.0138709
3250.21	0.297766	0.0137636
3266.47	0.282197	0.0134314
3282.8	0.286389	0.0135234
3299.21	0.265037	0.0130187
3315.71	0.276859	0.0133428
3332.29	0.294605	0.0137701
3348.95	0.293225	0.0137407
3365.69	0.261501	0.0129874
3382.52	0.260796	0.0129927
3399.43	0.268871	0.0132167
3416.43	0.28182	0.0135277
3433.51	0.27211	0.0133286
3450.68	0.289837	0.0137629
3467.93	0.283827	0.0136302
3485.27	0.271333	0.013336
3502.7	0.257717	0.0130177
3520.21	0.278643	0.0135597
3537.81	0.283168	0.0136732
3555.5	0.28912	0.01385
3573.28	0.295751	0.0140322
3591.15	0.266629	0.013337
3609.1	0.285112	0.0137992
3627.15	0.283287	0.0137607
3645.28	0.276961	0.0136103
3663.51	0.286506	0.013863
3681.83	0.297503	0.0141591
3700.24	0.281923	0.0138314
3718.74	0.293492	0.0140985
3737.33	0.313188	0.0146002
3756.02	0.303108	0.0143931
3774.8	0.29482	0.0142209
3793.67	0.287335	0.014028
3812.64	0.308663	0.0145474
3831.7	0.295876	0.0142569
3850.86	0.31207	0.0146419
3870.12	0.299445	0.0143723
3889.47	0.290155	0.0141915
3908.92	0.288827	0.0141639
3928.46	0.293385	0.0143071
3948.1	0.279457	0.0139988
3967.84	0.273029	0.0138237
3987.68	0.278429	0.0140052
4007.62	0.276023	0.0139431
4025.19	0.288605	0.0164085