4-NO2PhN2+ TsO-

n d, A Eh E, kJ/mol
25 min 1.3806 -1440.3178 282.227
33 max 1.5408 -1440.3093 304.458
34 min 1.5608 -1440.3137 292.944
54 max 1.9613 -1440.2690 410.361
237 min 5.6259 -1440.4253 0.021
318 max 7.2479 -1440.4245 2.109

n d, A Eh E, kJ/mol
1 0.9000 -1439.8345 1551.029
2 0.9200 -1439.8961 1389.504
3 0.9401 -1439.9503 1247.082
4 0.9601 -1439.9981 1121.628
5 0.9801 -1440.0401 1011.224
6 1.0001 -1440.0771 914.123
7 1.0202 -1440.1097 828.637
8 1.0402 -1440.1511 719.997
9 1.0602 -1440.1776 650.412
10 1.0802 -1440.2007 589.718
11 1.1003 -1440.2208 536.979
12 1.1203 -1440.2382 491.346
13 1.1403 -1440.2531 452.051
14 1.1603 -1440.2659 418.402
15 1.1804 -1440.2768 389.781
16 1.2004 -1440.2860 365.636
17 1.2204 -1440.2937 345.473
18 1.2404 -1440.3000 328.849
19 1.2605 -1440.3052 315.362
20 1.2805 -1440.3093 304.649
21 1.3005 -1440.3124 296.380
22 1.3205 -1440.3147 290.257
23 1.3406 -1440.3164 286.013
24 1.3606 -1440.3174 283.408
25 1.3806 -1440.3178 282.227
26 1.4006 -1440.3178 282.277
27 1.4207 -1440.3174 283.383
28 1.4407 -1440.3166 285.389
29 1.4607 -1440.3155 288.152
30 1.4807 -1440.3143 291.548
31 1.5008 -1440.3128 295.462
32 1.5208 -1440.3111 299.792
33 1.5408 -1440.3093 304.458
34 1.5608 -1440.3137 292.944
35 1.5809 -1440.3119 297.757
36 1.6009 -1440.3099 302.892
37 1.6209 -1440.3079 308.299
38 1.6409 -1440.3057 313.915
39 1.6610 -1440.3035 319.714
40 1.6810 -1440.3013 325.690
41 1.7010 -1440.2995 330.317
42 1.7210 -1440.2971 336.496
43 1.7411 -1440.2948 342.744
44 1.7611 -1440.2924 349.030
45 1.7811 -1440.2900 355.335
46 1.8011 -1440.2876 361.641
47 1.8212 -1440.2852 367.932
48 1.8412 -1440.2828 374.190
49 1.8612 -1440.2804 380.406
50 1.8812 -1440.2781 386.567
51 1.9013 -1440.2757 392.662
52 1.9213 -1440.2735 398.675
53 1.9413 -1440.2712 404.596
54 1.9613 -1440.2690 410.361
55 1.9814 -1440.2753 393.762
56 2.0014 -1440.2743 396.455
57 2.0214 -1440.2734 398.840
58 2.0414 -1440.2811 378.549
59 2.0615 -1440.2817 377.107
60 2.0815 -1440.2822 375.670
61 2.1015 -1440.2828 374.247
62 2.1215 -1440.2833 372.837
63 2.1416 -1440.2838 371.448
64 2.1616 -1440.2843 370.089
65 2.1816 -1440.2848 368.758
66 2.2016 -1440.2853 367.465
67 2.2217 -1440.2858 366.208
68 2.2417 -1440.2863 364.994
69 2.2617 -1440.2867 363.815
70 2.2817 -1440.2872 362.683
71 2.3018 -1440.2876 361.598
72 2.3218 -1440.2880 360.561
73 2.3418 -1440.2883 359.569
74 2.3618 -1440.2887 358.626
75 2.3819 -1440.2890 357.727
76 2.4019 -1440.2894 356.877
77 2.4219 -1440.2897 356.071
78 2.4419 -1440.2900 355.306
79 2.4620 -1440.2902 354.585
80 2.4820 -1440.2905 353.903
81 2.5020 -1440.2907 353.259
82 2.5220 -1440.2910 352.653
83 2.5421 -1440.2912 352.086
84 2.5621 -1440.2914 351.551
85 2.5821 -1440.2916 351.049
86 2.6021 -1440.2918 350.580
87 2.6222 -1440.2919 350.143
88 2.6422 -1440.2921 349.725
89 2.6622 -1440.2922 349.346
90 2.6822 -1440.2924 348.994
91 2.7023 -1440.2925 348.667
92 2.7223 -1440.2926 348.357
93 2.7423 -1440.2927 348.074
94 2.7623 -1440.2928 347.813
95 2.7824 -1440.2929 347.571
96 2.8024 -1440.2930 347.341
97 2.8224 -1440.2931 347.131
98 2.8424 -1440.2932 346.938
99 2.8625 -1440.2932 346.749
100 2.8825 -1440.2933 346.580
101 2.9025 -1440.2934 346.419
102 2.9225 -1440.2934 346.266
103 2.9426 -1440.2935 346.126
104 2.9626 -1440.2935 345.992
105 2.9826 -1440.2936 345.868
106 3.0026 -1440.2936 345.758
107 3.0227 -1440.2936 345.657
108 3.0427 -1440.2937 345.545
109 3.0627 -1440.2937 345.456
110 3.0827 -1440.2938 345.363
111 3.1028 -1440.2938 345.283
112 3.1228 -1440.2938 345.212
113 3.1428 -1440.2939 345.076
114 3.1628 -1440.2939 344.993
115 3.1829 -1440.4236 4.341
116 3.2029 -1440.4237 4.174
117 3.2229 -1440.4238 4.020
118 3.2429 -1440.4238 3.880
119 3.2630 -1440.4239 3.752
120 3.2830 -1440.4239 3.636
121 3.3030 -1440.4240 3.531
122 3.3230 -1440.4240 3.435
123 3.3431 -1440.4240 3.350
124 3.3631 -1440.4241 3.275
125 3.3831 -1440.4241 3.208
126 3.4031 -1440.4241 3.125
127 3.4232 -1440.4241 3.069
128 3.4432 -1440.4241 3.020
129 3.4632 -1440.4242 2.977
130 3.4832 -1440.4242 2.939
131 3.5033 -1440.4242 2.905
132 3.5233 -1440.4242 2.852
133 3.5433 -1440.4242 2.816
134 3.5633 -1440.4242 2.786
135 3.5834 -1440.4242 2.760
136 3.6034 -1440.4243 2.738
137 3.6234 -1440.4245 2.210
138 3.6434 -1440.4245 2.153
139 3.6635 -1440.4245 2.104
140 3.6835 -1440.4245 2.059
141 3.7035 -1440.4245 2.020
142 3.7235 -1440.4246 1.900
143 3.7436 -1440.4246 1.845
144 3.7636 -1440.4246 1.797
145 3.7836 -1440.4246 1.756
146 3.8036 -1440.4247 1.672
147 3.8237 -1440.4247 1.619
148 3.8437 -1440.4247 1.559
149 3.8637 -1440.4247 1.510
150 3.8837 -1440.4247 1.455
151 3.9038 -1440.4248 1.415
152 3.9238 -1440.4248 1.374
153 3.9438 -1440.4248 1.341
154 3.9638 -1440.4248 1.300
155 3.9839 -1440.4248 1.265
156 4.0039 -1440.4248 1.219
157 4.0239 -1440.4248 1.179
158 4.0439 -1440.4249 1.132
159 4.0640 -1440.4249 1.094
160 4.0840 -1440.4249 1.060
161 4.1040 -1440.4249 0.999
162 4.1240 -1440.4249 0.957
163 4.1441 -1440.4250 0.898
164 4.1641 -1440.4250 0.852
165 4.1841 -1440.4250 0.809
166 4.2041 -1440.4250 0.760
167 4.2242 -1440.4250 0.717
168 4.2442 -1440.4250 0.674
169 4.2642 -1440.4251 0.637
170 4.2842 -1440.4251 0.593
171 4.3043 -1440.4251 0.565
172 4.3243 -1440.4251 0.533
173 4.3443 -1440.4251 0.505
174 4.3643 -1440.4251 0.476
175 4.3844 -1440.4251 0.454
176 4.4044 -1440.4251 0.434
177 4.4244 -1440.4251 0.417
178 4.4444 -1440.4251 0.402
179 4.4645 -1440.4252 0.384
180 4.4845 -1440.4252 0.375
181 4.5045 -1440.4252 0.366
182 4.5245 -1440.4252 0.359
183 4.5446 -1440.4252 0.352
184 4.5646 -1440.4252 0.341
185 4.5846 -1440.4252 0.339
186 4.6046 -1440.4252 0.327
187 4.6247 -1440.4252 0.326
188 4.6447 -1440.4252 0.323
189 4.6647 -1440.4252 0.318
190 4.6847 -1440.4252 0.315
191 4.7048 -1440.4252 0.312
192 4.7248 -1440.4252 0.291
193 4.7448 -1440.4252 0.290
194 4.7648 -1440.4252 0.286
195 4.7849 -1440.4252 0.273
196 4.8049 -1440.4252 0.270
197 4.8249 -1440.4252 0.265
198 4.8449 -1440.4252 0.259
199 4.8650 -1440.4252 0.252
200 4.8850 -1440.4252 0.237
201 4.9050 -1440.4252 0.239
202 4.9250 -1440.4252 0.223
203 4.9451 -1440.4252 0.222
204 4.9651 -1440.4252 0.214
205 4.9851 -1440.4252 0.210
206 5.0051 -1440.4252 0.203
207 5.0252 -1440.4252 0.204
208 5.0452 -1440.4252 0.190
209 5.0652 -1440.4252 0.188
210 5.0852 -1440.4252 0.178
211 5.1053 -1440.4252 0.175
212 5.1253 -1440.4252 0.170
213 5.1453 -1440.4252 0.163
214 5.1653 -1440.4252 0.155
215 5.1854 -1440.4252 0.151
216 5.2054 -1440.4252 0.143
217 5.2254 -1440.4252 0.142
218 5.2454 -1440.4252 0.130
219 5.2655 -1440.4253 0.127
220 5.2855 -1440.4253 0.114
221 5.3055 -1440.4253 0.110
222 5.3255 -1440.4253 0.100
223 5.3456 -1440.4253 0.098
224 5.3656 -1440.4253 0.085
225 5.3856 -1440.4253 0.084
226 5.4056 -1440.4253 0.072
227 5.4257 -1440.4253 0.073
228 5.4457 -1440.4253 0.062
229 5.4657 -1440.4253 0.061
230 5.4857 -1440.4253 0.044
231 5.5058 -1440.4253 0.037
232 5.5258 -1440.4253 0.037
233 5.5458 -1440.4253 0.027
234 5.5658 -1440.4253 0.022
235 5.5859 -1440.4253 0.022
236 5.6059 -1440.4253 0.026
237 5.6259 -1440.4253 0.021
238 5.6459 -1440.4253 0.022
239 5.6660 -1440.4253 0.022
240 5.6860 -1440.4253 0.024
241 5.7060 -1440.4253 0.028
242 5.7260 -1440.4253 0.038
243 5.7461 -1440.4253 0.000
244 5.7661 -1440.4253 0.000
245 5.7861 -1440.4253 0.002
246 5.8061 -1440.4253 0.007
247 5.8262 -1440.4253 0.011
248 5.8462 -1440.4253 0.022
249 5.8662 -1440.4253 0.037
250 5.8862 -1440.4253 0.040
251 5.9063 -1440.4253 0.051
252 5.9263 -1440.4253 0.069
253 5.9463 -1440.4253 0.082
254 5.9663 -1440.4253 0.098
255 5.9864 -1440.4253 0.124
256 6.0064 -1440.4252 0.138
257 6.0264 -1440.4253 0.050
258 6.0464 -1440.4253 0.055
259 6.0665 -1440.4253 0.069
260 6.0865 -1440.4253 0.087
261 6.1065 -1440.4253 0.096
262 6.1265 -1440.4253 0.111
263 6.1466 -1440.4253 0.107
264 6.1666 -1440.4253 0.125
265 6.1866 -1440.4252 0.138
266 6.2066 -1440.4252 0.153
267 6.2267 -1440.4252 0.172
268 6.2467 -1440.4252 0.189
269 6.2667 -1440.4252 0.217
270 6.2867 -1440.4252 0.219
271 6.3068 -1440.4252 0.246
272 6.3268 -1440.4252 0.269
273 6.3468 -1440.4252 0.300
274 6.3668 -1440.4252 0.307
275 6.3869 -1440.4252 0.336
276 6.4069 -1440.4252 0.371
277 6.4269 -1440.4252 0.382
278 6.4469 -1440.4251 0.417
279 6.4670 -1440.4251 0.439
280 6.4870 -1440.4251 0.475
281 6.5070 -1440.4251 0.506
282 6.5270 -1440.4251 0.536
283 6.5471 -1440.4251 0.580
284 6.5671 -1440.4251 0.607
285 6.5871 -1440.4251 0.649
286 6.6071 -1440.4250 0.692
287 6.6272 -1440.4250 0.726
288 6.6472 -1440.4250 0.769
289 6.6672 -1440.4250 0.816
290 6.6872 -1440.4250 0.853
291 6.7073 -1440.4250 0.901
292 6.7273 -1440.4249 0.951
293 6.7473 -1440.4249 1.001
294 6.7673 -1440.4249 1.055
295 6.7874 -1440.4249 1.109
296 6.8074 -1440.4249 1.149
297 6.8274 -1440.4248 1.201
298 6.8474 -1440.4248 1.251
299 6.8675 -1440.4248 1.301
300 6.8875 -1440.4248 1.351
301 6.9075 -1440.4248 1.399
302 6.9275 -1440.4247 1.447
303 6.9476 -1440.4247 1.494
304 6.9676 -1440.4247 1.541
305 6.9876 -1440.4247 1.546
306 7.0076 -1440.4247 1.588
307 7.0277 -1440.4247 1.632
308 7.0477 -1440.4247 1.677
309 7.0677 -1440.4246 1.723
310 7.0877 -1440.4246 1.761
311 7.1078 -1440.4246 1.805
312 7.1278 -1440.4246 1.847
313 7.1478 -1440.4246 1.893
314 7.1678 -1440.4246 1.935
315 7.1879 -1440.4245 1.981
316 7.2079 -1440.4245 2.023
317 7.2279 -1440.4245 2.066
318 7.2479 -1440.4245 2.109
319 7.2680 -1440.4246 1.715
320 7.2880 -1440.4246 1.726
321 7.3080 -1440.4246 1.737
322 7.3280 -1440.4246 1.743
323 7.3481 -1440.4246 1.754
324 7.3681 -1440.4246 1.768
325 7.3881 -1440.4246 1.771
326 7.4081 -1440.4246 1.784
327 7.4282 -1440.4246 1.798
328 7.4482 -1440.4246 1.798
329 7.4682 -1440.4246 1.812
330 7.4882 -1440.4246 1.827
331 7.5083 -1440.4246 1.830
332 7.5283 -1440.4246 1.846
333 7.5483 -1440.4246 1.862
334 7.5683 -1440.4246 1.870
335 7.5884 -1440.4246 1.885
336 7.6084 -1440.4246 1.901
337 7.6284 -1440.4246 1.917
338 7.6484 -1440.4246 1.917
339 7.6685 -1440.4246 1.931
340 7.6885 -1440.4246 1.945
341 7.7085 -1440.4246 1.948
342 7.7285 -1440.4246 1.961
343 7.7486 -1440.4246 1.956
344 7.7686 -1440.4245 1.967
345 7.7886 -1440.4245 1.972
346 7.8086 -1440.4245 1.981
347 7.8287 -1440.4245 1.986
348 7.8487 -1440.4245 1.994
349 7.8687 -1440.4245 2.004
350 7.8887 -1440.4245 2.000
351 7.9088 -1440.4245 2.008
352 7.9288 -1440.4245 2.017
353 7.9488 -1440.4245 2.012
354 7.9688 -1440.4245 2.016
355 7.9889 -1440.4245 2.022
356 8.0089 -1440.4245 2.008
357 8.0289 -1440.4245 2.005
358 8.0489 -1440.4245 1.990
359 8.0690 -1440.4245 1.984
360 8.0890 -1440.4245 1.980
361 8.1090 -1440.4245 1.967
362 8.1290 -1440.4246 1.956
363 8.1491 -1440.4246 1.950
364 8.1691 -1440.4246 1.945
365 8.1891 -1440.4246 1.942
366 8.2091 -1440.4246 1.929
367 8.2292 -1440.4246 1.919
368 8.2492 -1440.4246 1.912
369 8.2692 -1440.4246 1.906
370 8.2892 -1440.4246 1.897
371 8.3093 -1440.4246 1.891
372 8.3293 -1440.4246 1.887
373 8.3493 -1440.4246 1.883
374 8.3693 -1440.4246 1.881
375 8.3894 -1440.4246 1.878
376 8.4094 -1440.4246 1.875
377 8.4294 -1440.4246 1.873
378 8.4494 -1440.4246 1.872
379 8.4695 -1440.4246 1.872
380 8.4895 -1440.4246 1.873
381 8.5095 -1440.4246 1.875
382 8.5295 -1440.4246 1.877
383 8.5496 -1440.4246 1.871
384 8.5696 -1440.4246 1.873
385 8.5896 -1440.4246 1.876
386 8.6096 -1440.4246 1.880
387 8.6297 -1440.4246 1.885
388 8.6497 -1440.4246 1.890
389 8.6697 -1440.4246 1.897
390 8.6897 -1440.4246 1.825
391 8.7098 -1440.4246 1.825
392 8.7298 -1440.4246 1.827
393 8.7498 -1440.4246 1.821
394 8.7698 -1440.4246 1.822
395 8.7899 -1440.4246 1.822
396 8.8099 -1440.4246 1.824
397 8.8299 -1440.4246 1.828
398 8.8499 -1440.4246 1.831
399 8.8700 -1440.4246 1.835
400 8.8900 -1440.4246 1.841
401 8.9100 -1440.4246 1.845
402 8.9300 -1440.4246 1.852
403 8.9501 -1440.4246 1.858
404 8.9701 -1440.4246 1.865
405 8.9901 -1440.4246 1.874
406 9.0101 -1440.4246 1.881
407 9.0302 -1440.4246 1.890
408 9.0502 -1440.4246 1.899
409 9.0702 -1440.4246 1.909
410 9.0902 -1440.4246 1.918
411 9.1103 -1440.4246 1.929
412 9.1303 -1440.4246 1.939
413 9.1503 -1440.4246 1.951
414 9.1703 -1440.4246 1.962
415 9.1904 -1440.4245 1.976
416 9.2104 -1440.4245 1.988
417 9.2304 -1440.4245 2.003
418 9.2504 -1440.4245 2.017
419 9.2705 -1440.4245 2.032
420 9.2905 -1440.4245 2.047
421 9.3105 -1440.4245 2.062
422 9.3305 -1440.4245 2.078
423 9.3506 -1440.4245 2.094
424 9.3706 -1440.4245 2.109
425 9.3906 -1440.4245 2.125
426 9.4106 -1440.4245 2.140
427 9.4307 -1440.4245 2.155
428 9.4507 -1440.4245 2.171
429 9.4707 -1440.4245 2.172
430 9.4907 -1440.4245 2.183
431 9.5108 -1440.4245 2.196
432 9.5308 -1440.4245 2.205
433 9.5508 -1440.4245 2.217
434 9.5708 -1440.4245 2.226
435 9.5909 -1440.4244 2.237
436 9.6109 -1440.4244 2.245
437 9.6309 -1440.4244 2.241
438 9.6509 -1440.4244 2.251
439 9.6710 -1440.4244 2.262
440 9.6910 -1440.4244 2.273
441 9.7110 -1440.4244 2.284
442 9.7310 -1440.4244 2.296
443 9.7511 -1440.4244 2.306
444 9.7711 -1440.4244 2.317
445 9.7911 -1440.4244 2.327
446 9.8111 -1440.4244 2.336
447 9.8312 -1440.4244 2.346
448 9.8512 -1440.4244 2.355
449 9.8712 -1440.4244 2.363
450 9.8912 -1440.4244 2.371
451 9.9113 -1440.4244 2.381
452 9.9313 -1440.4244 2.392
453 9.9513 -1440.4244 2.396
454 9.9713 -1440.4244 2.406
455 9.9914 -1440.4244 2.416
456 10.0114 -1440.4244 2.424
457 10.0314 -1440.4244 2.435
458 10.0514 -1440.4244 2.447
459 10.0715 -1440.4244 2.456
460 10.0915 -1440.4244 2.468
461 10.1115 -1440.4244 2.480
462 10.1315 -1440.4243 2.493
463 10.1516 -1440.4243 2.507
464 10.1716 -1440.4243 2.521
465 10.1916 -1440.4243 2.527
466 10.2116 -1440.4243 2.539
467 10.2317 -1440.4243 2.553
468 10.2517 -1440.4243 2.551
469 10.2717 -1440.4243 2.561
470 10.2917 -1440.4243 2.572
471 10.3118 -1440.4243 2.584
472 10.3318 -1440.4243 2.596
473 10.3518 -1440.4243 2.601
474 10.3718 -1440.4243 2.612
475 10.3919 -1440.4243 2.622
476 10.4119 -1440.4243 2.634
477 10.4319 -1440.4243 2.646
478 10.4519 -1440.4243 2.548
479 10.4720 -1440.4243 2.560
480 10.4920 -1440.4243 2.574
481 10.5120 -1440.4243 2.589
482 10.5320 -1440.4243 2.604
483 10.5521 -1440.4243 2.618
484 10.5721 -1440.4243 2.635
485 10.5921 -1440.4243 2.652
486 10.6121 -1440.4243 2.669
487 10.6322 -1440.4243 2.686
488 10.6522 -1440.4243 2.704
489 10.6722 -1440.4243 2.723
490 10.6922 -1440.4243 2.743
491 10.7123 -1440.4242 2.764
492 10.7323 -1440.4242 2.782
493 10.7523 -1440.4242 2.803
494 10.7723 -1440.4242 2.825
495 10.7924 -1440.4242 2.848
496 10.8124 -1440.4242 2.871
497 10.8324 -1440.4242 2.896
498 10.8524 -1440.4242 2.918
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