tetrabenzocoronene_cation.txt
19.4 KB
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
0.0000000 0.0000000
0.050000000 0.016685707
0.10000000 0.067823856
0.15000000 0.16001307
0.20000000 0.30412871
0.25000000 0.51540390
0.30000000 0.82339412
0.35000000 1.2668823
0.40000000 1.8848317
0.45000000 2.7044404
0.50000000 3.6573372
0.55000000 4.4955909
0.60000000 4.9232124
0.65000000 4.8687022
0.70000000 4.5397189
0.75000000 4.1975021
0.80000000 3.9808436
0.85000000 3.9400620
0.90000000 4.1081944
0.95000000 4.5137110
1.0000000 5.2032297
1.0500000 6.2541442
1.1000000 7.7403439
1.1500000 9.6650493
1.2000000 11.779840
1.2500000 13.427121
1.3000000 13.898176
1.3500000 13.130940
1.4000000 11.764469
1.4500000 10.458478
1.5000000 9.4987459
1.5500000 8.9696444
1.6000000 8.8979693
1.6500000 9.2684542
1.7000000 10.098125
1.7500000 11.396807
1.8000000 12.975463
1.8500000 14.353500
1.9000000 14.957266
1.9500000 14.596861
2.0000000 13.701642
2.0500000 12.851761
2.1000000 12.263136
2.1500000 11.934211
2.2000000 11.903482
2.2500000 12.183866
2.3000000 12.794051
2.3500000 13.819744
2.4000000 15.247232
2.4500000 16.966445
2.5000000 18.960492
2.5500000 21.309306
2.6000000 24.192798
2.6500000 27.824474
2.7000000 32.066069
2.7500000 36.437033
2.8000000 40.786720
2.8500000 45.621901
2.9000000 51.743568
2.9500000 59.463014
3.0000000 67.627925
3.0500000 73.978091
3.1000000 77.388433
3.1500000 78.858056
3.2000000 79.644106
3.2500000 79.874338
3.3000000 79.469250
3.3500000 79.094026
3.4000000 79.946215
3.4500000 82.866462
3.5000000 87.111659
3.5500000 90.571277
3.6000000 92.086689
3.6500000 92.312033
3.7000000 91.561215
3.7500000 88.744319
3.8000000 83.345169
3.8500000 76.841597
3.9000000 71.412623
3.9500000 68.224827
4.0000000 67.357216
4.0500000 68.600610
4.1000000 71.728330
4.1500000 76.363356
4.2000000 82.093088
4.2500000 88.672913
4.3000000 96.365403
4.3500000 106.46078
4.4000000 120.90347
4.4500000 141.40385
4.5000000 169.91029
4.5500000 209.22204
4.6000000 262.09440
4.6500000 330.15260
4.7000000 410.20691
4.7500000 486.28297
4.8000000 530.75802
4.8500000 524.62838
4.9000000 475.63365
4.9500000 409.53153
5.0000000 347.93064
5.0500000 299.60706
5.1000000 264.82600
5.1500000 239.67338
5.2000000 219.54179
5.2500000 202.70998
5.3000000 190.00083
5.3500000 181.67903
5.4000000 176.13265
5.4500000 170.96498
5.5000000 165.20894
5.5500000 160.65447
5.6000000 160.33281
5.6500000 166.24610
5.7000000 178.78089
5.7500000 196.19973
5.8000000 214.58593
5.8500000 230.75439
5.9000000 244.65944
5.9500000 257.28537
6.0000000 268.60503
6.0500000 279.23780
6.1000000 290.30085
6.1500000 299.28847
6.2000000 299.59127
6.2500000 286.80413
6.3000000 263.68511
6.3500000 237.62298
6.4000000 214.90188
6.4500000 197.99867
6.5000000 186.40589
6.5500000 178.30392
6.6000000 171.37079
6.6500000 163.03378
6.7000000 151.60669
6.7500000 137.91514
6.8000000 124.58966
6.8500000 113.21403
6.9000000 103.34723
6.9500000 94.203307
7.0000000 85.704939
7.0500000 78.045460
7.1000000 71.428219
7.1500000 66.056217
7.2000000 61.977554
7.2500000 59.222836
7.3000000 57.861624
7.3500000 57.702350
7.4000000 58.399632
7.4500000 59.792726
7.5000000 61.674903
7.5500000 63.463005
7.6000000 64.391557
7.6500000 63.997559
7.7000000 62.532414
7.7500000 60.824095
7.8000000 59.601628
7.8500000 59.259218
7.9000000 60.163114
7.9500000 62.579498
8.0000000 66.365626
8.0500000 70.866858
8.1000000 74.843725
8.1500000 77.053491
8.2000000 77.514326
8.2500000 77.430487
8.3000000 77.531800
8.3500000 77.480944
8.4000000 76.959507
8.4500000 76.312824
8.5000000 76.039036
8.5500000 76.225411
8.6000000 76.695334
8.6500000 77.610740
8.7000000 79.502032
8.7500000 82.489872
8.8000000 86.028456
8.8500000 89.566528
8.9000000 92.887968
8.9500000 95.898821
9.0000000 98.532316
9.0500000 100.67061
9.1000000 102.11685
9.1500000 102.88408
9.2000000 103.25661
9.2500000 103.52388
9.3000000 104.05779
9.3500000 105.43734
9.4000000 108.01223
9.4500000 111.34149
9.5000000 114.11815
9.5500000 114.91985
9.6000000 113.50865
9.6500000 111.08506
9.7000000 108.95397
9.7500000 107.63867
9.8000000 107.32922
9.8500000 108.09235
9.9000000 109.56867
9.9500000 111.23876
10.000000 112.87036
10.050000 114.36259
10.100000 115.39028
10.150000 115.38685
10.200000 114.04612
10.250000 111.94445
10.300000 110.24568
10.350000 109.66819
10.400000 110.16683
10.450000 111.40907
10.500000 113.09423
10.550000 115.13355
10.600000 117.78337
10.650000 121.39201
10.700000 126.12937
10.750000 132.08357
10.800000 139.39186
10.850000 148.23509
10.900000 158.61961
10.950000 169.97873
11.000000 181.33735
11.050000 192.05635
11.100000 201.91914
11.150000 210.66039
11.200000 218.22384
11.250000 225.37682
11.300000 233.36972
11.350000 242.88314
11.400000 253.49081
11.450000 264.25174
11.500000 274.60805
11.550000 284.12909
11.600000 291.58295
11.650000 295.39166
11.700000 295.14543
11.750000 292.10907
11.800000 288.45659
11.850000 286.12052
11.900000 285.80696
11.950000 287.20532
12.000000 290.39289
12.050000 296.39531
12.100000 306.18574
12.150000 319.79445
12.200000 336.29555
12.250000 354.14415
12.300000 371.60712
12.350000 387.07976
12.400000 399.22517
12.450000 407.27504
12.500000 411.26156
12.550000 411.82756
12.600000 410.04175
12.650000 407.13053
12.700000 403.78501
12.750000 400.07253
12.800000 396.50932
12.850000 394.74254
12.900000 396.76777
12.950000 403.53776
13.000000 414.13657
13.050000 426.07966
13.100000 436.60493
13.150000 444.00494
13.200000 448.15727
13.250000 450.25631
13.300000 451.82669
13.350000 453.60391
13.400000 455.41917
13.450000 457.07415
13.500000 458.90401
13.550000 461.36071
13.600000 464.21874
13.650000 466.46065
13.700000 467.22546
13.750000 466.66766
13.800000 465.60016
13.850000 464.63979
13.900000 464.03855
13.950000 463.93830
14.000000 464.44500
14.050000 465.68113
14.100000 467.92980
14.150000 471.56157
14.200000 476.73965
14.250000 483.36673
14.300000 491.47075
14.350000 501.33555
14.400000 512.95785
14.450000 525.76780
14.500000 539.18223
14.550000 552.95566
14.600000 566.92348
14.650000 580.96739
14.700000 595.07131
14.750000 608.88766
14.800000 621.69457
14.850000 633.11008
14.900000 643.29992
14.950000 652.29776
15.000000 659.70479
15.050000 665.21736
15.100000 669.30229
15.150000 673.35979
15.200000 679.13358
15.250000 687.75311
15.300000 699.39034
15.350000 713.77195
15.400000 730.62099
15.450000 749.36451
15.500000 768.71720
15.550000 786.97520
15.600000 802.81481
15.650000 815.84380
15.700000 826.69331
15.750000 836.64607
15.800000 846.75725
15.850000 857.24345
15.900000 867.82660
15.950000 878.35121
16.000000 888.95010
16.050000 900.17023
16.100000 913.00751
16.150000 928.23831
16.200000 945.55237
16.250000 963.41487
16.300000 979.44510
16.350000 990.94658
16.400000 995.93046
16.450000 994.48711
16.500000 989.12199
16.550000 982.97135
16.600000 977.23561
16.650000 970.81679
16.700000 962.43800
16.750000 952.10656
16.800000 940.47995
16.850000 928.09086
16.900000 915.50384
16.950000 903.32037
17.000000 891.73400
17.050000 880.36826
17.100000 868.43943
17.150000 855.01896
17.200000 839.46510
17.250000 821.92420
17.300000 803.45106
17.350000 785.46123
17.400000 768.87635
17.450000 753.80910
17.500000 740.02056
17.550000 727.46500
17.600000 716.49585
17.650000 707.85108
17.700000 702.34986
17.750000 700.38953
17.800000 701.70117
17.850000 705.53037
17.900000 711.00378
17.950000 717.40650
18.000000 724.22083
18.050000 731.20712
18.100000 738.62147
18.150000 746.95599
18.200000 756.13164
18.250000 765.22204
18.300000 773.07288
18.350000 778.92314
18.400000 782.41061
18.450000 783.22613
18.500000 780.95701
18.550000 775.52494
18.600000 767.70447
18.650000 758.83908
18.700000 750.04905
18.750000 741.86930
18.800000 734.31152
18.850000 727.08706
18.900000 719.95991
18.950000 712.92130
19.000000 706.05722
19.050000 699.51766
19.100000 693.47093
19.150000 687.80031
19.200000 682.04518
19.250000 675.79685
19.300000 668.96569
19.350000 661.63622
19.400000 653.80075
19.450000 645.25147
19.500000 635.85556
19.550000 625.91598
19.600000 616.02578
19.650000 606.64744
19.700000 598.02791
19.750000 590.37610
19.800000 584.02533
19.850000 579.45928
19.900000 576.99990
19.950000 576.38743
20.000000 576.87697
20.050000 577.77737
20.100000 578.80144
20.150000 580.08967
20.200000 581.87621
20.250000 583.98070
20.300000 585.65602
20.350000 585.96847
20.400000 584.35206
20.450000 581.02996
20.500000 577.06576
20.550000 573.81866
20.600000 572.20554
20.650000 572.33286
20.700000 573.66280
20.750000 575.46325
20.800000 577.15649
20.850000 578.29288
20.900000 578.51716
20.950000 577.82164
21.000000 576.65196
21.050000 575.65496
21.100000 575.36080
21.150000 575.94437
21.200000 577.10491
21.250000 578.29874
21.300000 579.02682
21.350000 578.92145
21.400000 577.78689
21.450000 575.61947
21.500000 572.45982
21.550000 568.36318
21.600000 563.52198
21.650000 558.23260
21.700000 552.85358
21.750000 547.86019
21.800000 543.70318
21.850000 540.57682
21.900000 538.41160
21.950000 536.92544
22.000000 535.67526
22.050000 534.24800
22.100000 532.40219
22.150000 530.02074
22.200000 527.06927
22.250000 523.52435
22.300000 519.31685
22.350000 514.49103
22.400000 509.31945
22.450000 504.12008
22.500000 499.09522
22.550000 494.41135
22.600000 490.25324
22.650000 486.83638
22.700000 484.37701
22.750000 482.91718
22.800000 482.25496
22.850000 482.10020
22.900000 482.16239
22.950000 482.14117
23.000000 481.73762
23.050000 480.63708
23.100000 478.57431
23.150000 475.54308
23.200000 471.79840
23.250000 467.65895
23.300000 463.42839
23.350000 459.35297
23.400000 455.53475
23.450000 452.00227
23.500000 448.82286
23.550000 446.06494
23.600000 443.75813
23.650000 441.88634
23.700000 440.28236
23.750000 438.66851
23.800000 436.83294
23.850000 434.63077
23.900000 431.96614
23.950000 428.90600
24.000000 425.63842
24.050000 422.31925
24.100000 419.02203
24.150000 415.68310
24.200000 412.10709
24.250000 408.15679
24.300000 403.84721
24.350000 399.26396
24.400000 394.55741
24.450000 389.95147
24.500000 385.64591
24.550000 381.81745
24.600000 378.63255
24.650000 376.12927
24.700000 374.21321
24.750000 372.76107
24.800000 371.60492
24.850000 370.57610
24.900000 369.59264
24.950000 368.60589
25.000000 367.54743
25.050000 366.40920
25.100000 365.19744
25.150000 363.85324
25.200000 362.31000
25.250000 360.51358
25.300000 358.36592
25.350000 355.81507
25.400000 352.91556
25.450000 349.76322
25.500000 346.51466
25.550000 343.38025
25.600000 340.48549
25.650000 337.87903
25.700000 335.59930
25.750000 333.63750
25.800000 331.97572
25.850000 330.64359
25.900000 329.64220
25.950000 328.88522
26.000000 328.25483
26.050000 327.57102
26.100000 326.62122
26.150000 325.32128
26.200000 323.72938
26.250000 321.96845
26.300000 320.23715
26.350000 318.73050
26.400000 317.53923
26.450000 316.70175
26.500000 316.24551
26.550000 316.12514
26.600000 316.28173
26.650000 316.68346
26.700000 317.26922
26.750000 317.98303
26.800000 318.82929
26.850000 319.77579
26.900000 320.73291
26.950000 321.61465
27.000000 322.30029
27.050000 322.66031
27.100000 322.66214
27.150000 322.32700
27.200000 321.66587
27.250000 320.74132
27.300000 319.62469
27.350000 318.34012
27.400000 316.92969
27.450000 315.45487
27.500000 313.92956
27.550000 312.37717
27.600000 310.83137
27.650000 309.26691
27.700000 307.64611
27.750000 305.97884
27.800000 304.25705
27.850000 302.49173
27.900000 300.75568
27.950000 299.08987
28.000000 297.47785
28.050000 295.91339
28.100000 294.36942
28.150000 292.80093
28.200000 291.22257
28.250000 289.65336
28.300000 288.06402
28.350000 286.45126
28.400000 284.81948
28.450000 283.13831
28.500000 281.41762
28.550000 279.69913
28.600000 277.98467
28.650000 276.29471
28.700000 274.68708
28.750000 273.18336
28.800000 271.78720
28.850000 270.51250
28.900000 269.30148
28.950000 268.07863
29.000000 266.82318
29.050000 265.51527
29.100000 264.13872
29.150000 262.74242
29.200000 261.36784
29.250000 260.02444
29.300000 258.75085
29.350000 257.57227
29.400000 256.45637
29.450000 255.39315
29.500000 254.36725
29.550000 253.31911
29.600000 252.22951
29.650000 251.12747
29.700000 250.02888
29.750000 248.98926
29.800000 248.09642
29.850000 247.37423
29.900000 246.81540
29.950000 246.41609
30.000000 246.10971