4-MeOPhN2+ CF3COO-

n d, A Eh E, kJ/mol
50 min 1.3912 -981.9228 0.000
116 max 2.0529 -981.8667 147.293
117 min 2.0629 -981.8812 109.356
125 max 2.1431 -981.8798 112.869
248 min 3.3762 -981.8960 70.551

n d, A Eh E, kJ/mol
1 0.9000 -981.4396 1268.724
2 0.9100 -981.4726 1182.058
3 0.9201 -981.5036 1100.578
4 0.9301 -981.5328 1023.982
5 0.9401 -981.5602 952.061
6 0.9501 -981.5859 884.511
7 0.9602 -981.6101 821.102
8 0.9702 -981.6327 761.623
9 0.9802 -981.6540 705.865
10 0.9902 -981.6739 653.589
11 1.0003 -981.6925 604.650
12 1.0103 -981.7100 558.819
13 1.0203 -981.7263 515.963
14 1.0303 -981.7416 475.873
15 1.0404 -981.7558 438.458
16 1.0504 -981.7693 403.155
17 1.0604 -981.7817 370.510
18 1.0704 -981.7933 340.105
19 1.0805 -981.8041 311.771
20 1.0905 -981.8141 285.438
21 1.1005 -981.8249 257.103
22 1.1105 -981.8337 233.990
23 1.1206 -981.8425 210.958
24 1.1306 -981.8502 190.641
25 1.1406 -981.8574 171.817
26 1.1506 -981.8640 154.399
27 1.1607 -981.8702 138.304
28 1.1707 -981.8758 123.456
29 1.1807 -981.8810 109.784
30 1.1907 -981.8858 97.218
31 1.2008 -981.8902 85.694
32 1.2108 -981.8942 75.150
33 1.2208 -981.8981 64.995
34 1.2308 -981.9014 56.181
35 1.2409 -981.9045 48.210
36 1.2509 -981.9072 41.024
37 1.2609 -981.9097 34.573
38 1.2709 -981.9119 28.810
39 1.2810 -981.9138 23.694
40 1.2910 -981.9155 19.183
41 1.3010 -981.9170 15.239
42 1.3110 -981.9183 11.826
43 1.3211 -981.9194 8.912
44 1.3311 -981.9204 6.463
45 1.3411 -981.9211 4.451
46 1.3511 -981.9218 2.846
47 1.3612 -981.9222 1.623
48 1.3712 -981.9225 0.757
49 1.3812 -981.9228 0.223
50 1.3912 -981.9228 0.000
51 1.4013 -981.9228 0.067
52 1.4113 -981.9227 0.403
53 1.4213 -981.9225 0.991
54 1.4313 -981.9221 1.812
55 1.4414 -981.9218 2.850
56 1.4514 -981.9213 4.089
57 1.4614 -981.9209 5.201
58 1.4714 -981.9202 6.820
59 1.4815 -981.9196 8.599
60 1.4915 -981.9188 10.523
61 1.5015 -981.9180 12.577
62 1.5115 -981.9172 14.752
63 1.5216 -981.9163 17.034
64 1.5316 -981.9154 19.415
65 1.5416 -981.9145 21.883
66 1.5516 -981.9135 24.431
67 1.5617 -981.9125 27.049
68 1.5717 -981.9115 29.730
69 1.5817 -981.9105 32.464
70 1.5917 -981.9094 35.246
71 1.6018 -981.9083 38.068
72 1.6118 -981.9072 40.923
73 1.6218 -981.9062 43.806
74 1.6318 -981.9050 46.711
75 1.6419 -981.9039 49.632
76 1.6519 -981.9028 52.564
77 1.6619 -981.9017 55.503
78 1.6719 -981.9006 58.444
79 1.6820 -981.8995 61.383
80 1.6920 -981.8983 64.316
81 1.7020 -981.8972 67.239
82 1.7120 -981.8961 70.149
83 1.7221 -981.8950 73.043
84 1.7321 -981.8939 75.918
85 1.7421 -981.8928 78.771
86 1.7521 -981.8918 81.600
87 1.7622 -981.8907 84.402
88 1.7722 -981.8896 87.175
89 1.7822 -981.8886 89.917
90 1.7922 -981.8876 92.627
91 1.8023 -981.8866 95.230
92 1.8123 -981.8856 97.862
93 1.8223 -981.8846 100.466
94 1.8323 -981.8836 103.034
95 1.8424 -981.8826 105.561
96 1.8524 -981.8817 107.978
97 1.8624 -981.8808 110.410
98 1.8724 -981.8799 112.811
99 1.8825 -981.8790 115.171
100 1.8925 -981.8781 117.434
101 1.9025 -981.8772 119.695
102 1.9125 -981.8764 121.920
103 1.9226 -981.8756 124.018
104 1.9326 -981.8748 126.129
105 1.9426 -981.8740 128.208
106 1.9526 -981.8733 130.167
107 1.9627 -981.8725 132.128
108 1.9727 -981.8718 134.058
109 1.9827 -981.8711 135.855
110 1.9927 -981.8704 137.658
111 2.0028 -981.8697 139.430
112 2.0128 -981.8691 141.159
113 2.0228 -981.8685 142.678
114 2.0328 -981.8679 144.248
115 2.0429 -981.8673 145.793
116 2.0529 -981.8667 147.293
117 2.0629 -981.8812 109.356
118 2.0729 -981.8809 109.978
119 2.0830 -981.8807 110.573
120 2.0930 -981.8805 111.068
121 2.1030 -981.8803 111.564
122 2.1130 -981.8802 112.037
123 2.1231 -981.8801 112.273
124 2.1331 -981.8800 112.579
125 2.1431 -981.8798 112.869
126 2.1531 -981.8854 98.309
127 2.1632 -981.8856 97.657
128 2.1732 -981.8859 97.018
129 2.1832 -981.8861 96.385
130 2.1932 -981.8864 95.758
131 2.2033 -981.8866 95.139
132 2.2133 -981.8868 94.533
133 2.2233 -981.8871 93.939
134 2.2333 -981.8873 93.325
135 2.2434 -981.8875 92.742
136 2.2534 -981.8877 92.171
137 2.2634 -981.8880 91.574
138 2.2734 -981.8882 91.015
139 2.2835 -981.8884 90.471
140 2.2935 -981.8886 89.895
141 2.3035 -981.8888 89.362
142 2.3135 -981.8890 88.845
143 2.3236 -981.8892 88.294
144 2.3336 -981.8894 87.788
145 2.3436 -981.8896 87.300
146 2.3536 -981.8898 86.775
147 2.3637 -981.8900 86.300
148 2.3737 -981.8901 85.842
149 2.3837 -981.8903 85.314
150 2.3937 -981.8905 84.868
151 2.4038 -981.8907 84.438
152 2.4138 -981.8908 83.981
153 2.4238 -981.8910 83.565
154 2.4338 -981.8912 83.167
155 2.4439 -981.8913 82.733
156 2.4539 -981.8915 82.346
157 2.4639 -981.8916 81.977
158 2.4739 -981.8918 81.536
159 2.4840 -981.8919 81.177
160 2.4940 -981.8921 80.819
161 2.5040 -981.8922 80.472
162 2.5140 -981.8923 80.134
163 2.5241 -981.8924 79.804
164 2.5341 -981.8926 79.482
165 2.5441 -981.8927 79.167
166 2.5541 -981.8928 78.861
167 2.5642 -981.8929 78.562
168 2.5742 -981.8930 78.271
169 2.5842 -981.8931 77.988
170 2.5942 -981.8932 77.712
171 2.6043 -981.8933 77.444
172 2.6143 -981.8934 77.184
173 2.6243 -981.8935 76.931
174 2.6343 -981.8936 76.685
175 2.6444 -981.8937 76.446
176 2.6544 -981.8938 76.215
177 2.6644 -981.8939 75.990
178 2.6744 -981.8940 75.771
179 2.6845 -981.8941 75.560
180 2.6945 -981.8941 75.354
181 2.7045 -981.8942 75.155
182 2.7145 -981.8943 74.963
183 2.7246 -981.8944 74.776
184 2.7346 -981.8944 74.595
185 2.7446 -981.8945 74.421
186 2.7546 -981.8946 74.252
187 2.7647 -981.8946 74.088
188 2.7747 -981.8947 73.807
189 2.7847 -981.8948 73.647
190 2.7947 -981.8948 73.508
191 2.8048 -981.8949 73.375
192 2.8148 -981.8949 73.248
193 2.8248 -981.8950 73.127
194 2.8348 -981.8950 73.009
195 2.8449 -981.8951 72.895
196 2.8549 -981.8951 72.785
197 2.8649 -981.8952 72.679
198 2.8749 -981.8952 72.576
199 2.8850 -981.8953 72.409
200 2.8950 -981.8953 72.319
201 2.9050 -981.8953 72.217
202 2.9150 -981.8954 72.118
203 2.9251 -981.8954 72.025
204 2.9351 -981.8954 71.937
205 2.9451 -981.8955 71.854
206 2.9551 -981.8955 71.774
207 2.9652 -981.8955 71.699
208 2.9752 -981.8956 71.627
209 2.9852 -981.8956 71.558
210 2.9952 -981.8956 71.492
211 3.0053 -981.8956 71.430
212 3.0153 -981.8957 71.370
213 3.0253 -981.8957 71.313
214 3.0353 -981.8957 71.259
215 3.0454 -981.8957 71.207
216 3.0554 -981.8957 71.158
217 3.0654 -981.8958 71.111
218 3.0754 -981.8958 71.067
219 3.0855 -981.8958 71.025
220 3.0955 -981.8958 70.986
221 3.1055 -981.8958 70.948
222 3.1155 -981.8958 70.913
223 3.1256 -981.8958 70.880
224 3.1356 -981.8959 70.849
225 3.1456 -981.8959 70.819
226 3.1556 -981.8959 70.792
227 3.1657 -981.8959 70.767
228 3.1757 -981.8959 70.743
229 3.1857 -981.8959 70.721
230 3.1957 -981.8959 70.701
231 3.2058 -981.8959 70.682
232 3.2158 -981.8959 70.665
233 3.2258 -981.8959 70.649
234 3.2358 -981.8959 70.634
235 3.2459 -981.8959 70.621
236 3.2559 -981.8959 70.610
237 3.2659 -981.8959 70.599
238 3.2759 -981.8959 70.590
239 3.2860 -981.8960 70.582
240 3.2960 -981.8960 70.575
241 3.3060 -981.8960 70.569
242 3.3160 -981.8960 70.563
243 3.3261 -981.8960 70.559
244 3.3361 -981.8960 70.556
245 3.3461 -981.8960 70.554
246 3.3561 -981.8960 70.552
247 3.3662 -981.8960 70.551
248 3.3762 -981.8960 70.551
249 3.3862 -981.8960 70.552
250 3.3962 -981.8960 70.553
251 3.4063 -981.8960 70.555
252 3.4163 -981.8960 70.558
253 3.4263 -981.8960 70.561
254 3.4363 -981.8960 70.565
255 3.4464 -981.8960 70.569
256 3.4564 -981.8960 70.573
257 3.4664 -981.8960 70.578
258 3.4764 -981.8960 70.583
259 3.4865 -981.8960 70.589
260 3.4965 -981.8959 70.595
261 3.5065 -981.8959 70.602
262 3.5165 -981.8959 70.609
263 3.5266 -981.8959 70.617
264 3.5366 -981.8959 70.625
265 3.5466 -981.8959 70.633
266 3.5566 -981.8959 70.642
267 3.5667 -981.8959 70.651
268 3.5767 -981.8959 70.661
269 3.5867 -981.8959 70.670
270 3.5967 -981.8959 70.680
271 3.6068 -981.8959 70.691
272 3.6168 -981.8959 70.701
273 3.6268 -981.8959 70.716
274 3.6368 -981.8959 70.729
275 3.6469 -981.8959 70.742
276 3.6569 -981.8959 70.755
277 3.6669 -981.8959 70.767
278 3.6769 -981.8959 70.779
279 3.6870 -981.8959 70.791
280 3.6970 -981.8959 70.802
281 3.7070 -981.8959 70.808
282 3.7170 -981.8959 70.816
283 3.7271 -981.8959 70.825
284 3.7371 -981.8959 70.835
285 3.7471 -981.8959 70.844
286 3.7571 -981.8958 70.854
287 3.7672 -981.8958 70.865
288 3.7772 -981.8958 70.875
289 3.7872 -981.8958 70.886
290 3.7972 -981.8958 70.897
291 3.8073 -981.8958 70.907
292 3.8173 -981.8958 70.919
293 3.8273 -981.8958 70.930
294 3.8373 -981.8958 70.941
295 3.8474 -981.8958 70.952
296 3.8574 -981.8958 70.963
297 3.8674 -981.8958 70.974
298 3.8774 -981.8958 70.986
299 3.8875 -981.8958 70.997
300 3.8975 -981.8958 71.008
301 3.9075 -981.8958 71.019
302 3.9175 -981.8958 71.030
303 3.9276 -981.8958 71.041
304 3.9376 -981.8958 71.053
305 3.9476 -981.8958 71.065
306 3.9576 -981.8958 71.083
307 3.9677 -981.8958 71.103
308 3.9777 -981.8957 71.122
309 3.9877 -981.8957 71.140
310 3.9977 -981.8957 71.123
311 4.0078 -981.8957 71.139
312 4.0178 -981.8957 71.159
313 4.0278 -981.8957 71.177
314 4.0378 -981.8957 71.166
315 4.0479 -981.8957 71.182
316 4.0579 -981.8957 71.201
317 4.0679 -981.8957 71.220
318 4.0779 -981.8957 71.210
319 4.0880 -981.8957 71.226
320 4.0980 -981.8957 71.245
321 4.1080 -981.8957 71.263
322 4.1180 -981.8957 71.253
323 4.1281 -981.8957 71.268
324 4.1381 -981.8957 71.287
325 4.1481 -981.8957 71.305
326 4.1581 -981.8957 71.295
327 4.1682 -981.8957 71.310
328 4.1782 -981.8957 71.329
329 4.1882 -981.8957 71.346
330 4.1982 -981.8957 71.337
331 4.2083 -981.8957 71.351
332 4.2183 -981.8957 71.369
333 4.2283 -981.8956 71.385
334 4.2383 -981.8956 71.401
335 4.2484 -981.8956 71.416
336 4.2584 -981.8956 71.431
337 4.2684 -981.8956 71.445
338 4.2784 -981.8956 71.459
339 4.2885 -981.8956 71.472
340 4.2985 -981.8956 71.485
341 4.3085 -981.8956 71.461
342 4.3185 -981.8956 71.475
343 4.3286 -981.8956 71.493
344 4.3386 -981.8956 71.509
345 4.3486 -981.8956 71.498
346 4.3586 -981.8956 71.512
347 4.3687 -981.8956 71.530
348 4.3787 -981.8956 71.547
349 4.3887 -981.8956 71.538
350 4.3987 -981.8956 71.552
351 4.4088 -981.8956 71.569
352 4.4188 -981.8956 71.565
353 4.4288 -981.8956 71.580
354 4.4388 -981.8956 71.580
355 4.4489 -981.8956 71.595
356 4.4589 -981.8956 71.597
357 4.4689 -981.8956 71.611
358 4.4789 -981.8956 71.614
359 4.4890 -981.8956 71.628
360 4.4990 -981.8956 71.631
361 4.5090 -981.8955 71.645
362 4.5190 -981.8955 71.648
363 4.5291 -981.8955 71.662
364 4.5391 -981.8955 71.665
365 4.5491 -981.8955 71.680
366 4.5591 -981.8955 71.682
367 4.5692 -981.8955 71.696
368 4.5792 -981.8955 71.699
369 4.5892 -981.8955 71.713
370 4.5992 -981.8955 71.716
371 4.6093 -981.8955 71.730
372 4.6193 -981.8955 71.732
373 4.6293 -981.8955 71.746
374 4.6393 -981.8955 71.749
375 4.6494 -981.8955 71.763
376 4.6594 -981.8955 71.765
377 4.6694 -981.8955 71.779
378 4.6794 -981.8955 71.782
379 4.6895 -981.8955 71.796
380 4.6995 -981.8955 71.798
381 4.7095 -981.8955 71.812
382 4.7195 -981.8955 71.815
383 4.7296 -981.8955 71.829
384 4.7396 -981.8955 71.831
385 4.7496 -981.8955 71.845
386 4.7596 -981.8955 71.848
387 4.7697 -981.8955 71.862
388 4.7797 -981.8955 71.864
389 4.7897 -981.8955 71.877
390 4.7997 -981.8955 71.880
391 4.8098 -981.8955 71.894
392 4.8198 -981.8955 71.895
393 4.8298 -981.8954 71.909
394 4.8398 -981.8954 71.910
395 4.8499 -981.8954 71.924
396 4.8599 -981.8954 71.925
397 4.8699 -981.8954 71.938
398 4.8799 -981.8954 71.940
399 4.8900 -981.8954 71.953
400 4.9000 -981.8954 71.955