4-MeOPhN2+ NO3-

n d, A Eh E, kJ/mol
43 min 1.3211 -735.9832 266.594
65 max 1.5416 -735.9596 328.358
66 min 1.5516 -735.9826 268.187
112 max 2.0128 -735.9449 367.026

n d, A Eh E, kJ/mol
1 0.9000 -735.5466 1412.775
2 0.9100 -735.5788 1328.350
3 0.9201 -735.6089 1249.129
4 0.9301 -735.6373 1174.775
5 0.9401 -735.6638 1105.080
6 0.9501 -735.6887 1039.735
7 0.9602 -735.7120 978.654
8 0.9702 -735.7338 921.244
9 0.9802 -735.7542 867.653
10 0.9902 -735.7733 817.557
11 1.0003 -735.7910 771.143
12 1.0103 -735.8078 727.089
13 1.0203 -735.8233 686.365
14 1.0303 -735.8377 648.436
15 1.0404 -735.8512 613.124
16 1.0504 -735.8637 580.306
17 1.0604 -735.8753 549.846
18 1.0704 -735.8860 521.591
19 1.0805 -735.8960 495.448
20 1.0905 -735.9052 471.267
21 1.1005 -735.9137 448.969
22 1.1105 -735.9215 428.437
23 1.1206 -735.9287 409.543
24 1.1306 -735.9353 392.254
25 1.1406 -735.9413 376.412
26 1.1506 -735.9468 361.990
27 1.1607 -735.9518 348.864
28 1.1707 -735.9564 337.000
29 1.1807 -735.9604 326.292
30 1.1907 -735.9641 316.710
31 1.2008 -735.9673 308.127
32 1.2108 -735.9702 300.545
33 1.2208 -735.9728 293.858
34 1.2308 -735.9750 288.050
35 1.2409 -735.9769 283.035
36 1.2509 -735.9785 278.830
37 1.2609 -735.9799 275.251
38 1.2709 -735.9810 272.385
39 1.2810 -735.9818 270.141
40 1.2910 -735.9824 268.512
41 1.3010 -735.9829 267.338
42 1.3110 -735.9831 266.725
43 1.3211 -735.9832 266.594
44 1.3311 -735.9831 266.853
45 1.3411 -735.9828 267.553
46 1.3511 -735.9824 268.636
47 1.3612 -735.9819 270.023
48 1.3712 -735.9812 271.763
49 1.3812 -735.9804 273.814
50 1.3912 -735.9796 276.070
51 1.4013 -735.9786 278.614
52 1.4113 -735.9775 281.388
53 1.4213 -735.9764 284.311
54 1.4313 -735.9752 287.456
55 1.4414 -735.9740 290.702
56 1.4514 -735.9727 294.144
57 1.4614 -735.9713 297.721
58 1.4714 -735.9699 301.354
59 1.4815 -735.9685 305.117
60 1.4915 -735.9671 308.787
61 1.5015 -735.9656 312.624
62 1.5115 -735.9641 316.530
63 1.5216 -735.9626 320.489
64 1.5316 -735.9612 324.394
65 1.5416 -735.9596 328.358
66 1.5516 -735.9826 268.187
67 1.5617 -735.9817 270.352
68 1.5717 -735.9809 272.588
69 1.5817 -735.9800 274.881
70 1.5917 -735.9791 277.221
71 1.6018 -735.9782 279.602
72 1.6118 -735.9773 282.017
73 1.6218 -735.9764 284.462
74 1.6318 -735.9754 286.929
75 1.6419 -735.9745 289.415
76 1.6519 -735.9735 291.916
77 1.6619 -735.9726 294.426
78 1.6719 -735.9716 296.942
79 1.6820 -735.9707 299.459
80 1.6920 -735.9697 301.976
81 1.7020 -735.9687 304.487
82 1.7120 -735.9678 306.990
83 1.7221 -735.9668 309.482
84 1.7321 -735.9659 311.960
85 1.7421 -735.9650 314.421
86 1.7521 -735.9640 316.863
87 1.7622 -735.9631 319.284
88 1.7722 -735.9622 321.680
89 1.7822 -735.9613 324.051
90 1.7922 -735.9604 326.394
91 1.8023 -735.9595 328.708
92 1.8123 -735.9586 330.994
93 1.8223 -735.9578 333.247
94 1.8323 -735.9569 335.466
95 1.8424 -735.9562 337.521
96 1.8524 -735.9553 339.646
97 1.8624 -735.9545 341.744
98 1.8724 -735.9538 343.752
99 1.8825 -735.9530 345.755
100 1.8925 -735.9523 347.726
101 1.9025 -735.9516 349.596
102 1.9125 -735.9508 351.462
103 1.9226 -735.9501 353.294
104 1.9326 -735.9495 355.080
105 1.9426 -735.9488 356.726
106 1.9526 -735.9482 358.389
107 1.9627 -735.9476 359.992
108 1.9727 -735.9470 361.567
109 1.9827 -735.9464 363.091
110 1.9927 -735.9459 364.364
111 2.0028 -735.9454 365.719
112 2.0128 -735.9449 367.026
113 2.0228 -735.9481 358.750
114 2.0328 -736.0287 147.165
115 2.0429 -736.0300 143.760
116 2.0529 -736.0312 140.535
117 2.0629 -736.0324 137.301
118 2.0729 -736.0336 134.170
119 2.0830 -736.0348 131.116
120 2.0930 -736.0359 128.092
121 2.1030 -736.0370 125.153
122 2.1130 -736.0381 122.264
123 2.1231 -736.0392 119.445
124 2.1331 -736.0403 116.692
125 2.1431 -736.0413 113.978
126 2.1531 -736.0423 111.339
127 2.1632 -736.0433 108.748
128 2.1732 -736.0442 106.229
129 2.1832 -736.0452 103.745
130 2.1932 -736.0461 101.334
131 2.2033 -736.0470 98.965
132 2.2133 -736.0479 96.658
133 2.2233 -736.0488 94.406
134 2.2333 -736.0496 92.197
135 2.2434 -736.0504 90.060
136 2.2534 -736.0512 87.941
137 2.2634 -736.0520 85.894
138 2.2734 -736.0528 83.884
139 2.2835 -736.0535 81.933
140 2.2935 -736.0542 80.018
141 2.3035 -736.0549 78.159
142 2.3135 -736.0556 76.338
143 2.3236 -736.0562 74.887
144 2.3336 -736.0570 72.838
145 2.3436 -736.0575 71.405
146 2.3536 -736.0582 69.507
147 2.3637 -736.0588 67.904
148 2.3737 -736.0594 66.341
149 2.3837 -736.0600 64.817
150 2.3937 -736.0606 63.331
151 2.4038 -736.0611 61.881
152 2.4138 -736.0617 60.468
153 2.4238 -736.0622 59.090
154 2.4338 -736.0627 57.746
155 2.4439 -736.0632 56.436
156 2.4539 -736.0637 55.165
157 2.4639 -736.0642 53.925
158 2.4739 -736.0646 52.717
159 2.4840 -736.0651 51.541
160 2.4940 -736.0655 50.395
161 2.5040 -736.0659 49.278
162 2.5140 -736.0664 48.189
163 2.5241 -736.0668 47.129
164 2.5341 -736.0672 46.095
165 2.5441 -736.0675 45.088
166 2.5541 -736.0679 44.105
167 2.5642 -736.0683 43.147
168 2.5742 -736.0686 42.212
169 2.5842 -736.0690 41.300
170 2.5942 -736.0693 40.411
171 2.6043 -736.0696 39.544
172 2.6143 -736.0700 38.697
173 2.6243 -736.0703 37.872
174 2.6343 -736.0706 37.066
175 2.6444 -736.0709 36.280
176 2.6544 -736.0712 35.513
177 2.6644 -736.0715 34.764
178 2.6744 -736.0717 34.032
179 2.6845 -736.0720 33.318
180 2.6945 -736.0723 32.621
181 2.7045 -736.0725 31.940
182 2.7145 -736.0728 31.274
183 2.7246 -736.0730 30.625
184 2.7346 -736.0733 29.992
185 2.7446 -736.0735 29.373
186 2.7546 -736.0738 28.769
187 2.7647 -736.0740 28.178
188 2.7747 -736.0742 27.600
189 2.7847 -736.0744 27.036
190 2.7947 -736.0746 26.484
191 2.8048 -736.0748 25.945
192 2.8148 -736.0750 25.417
193 2.8248 -736.0752 24.902
194 2.8348 -736.0754 24.397
195 2.8449 -736.0756 23.903
196 2.8549 -736.0758 23.420
197 2.8649 -736.0760 22.948
198 2.8749 -736.0761 22.486
199 2.8850 -736.0763 22.033
200 2.8950 -736.0765 21.590
201 2.9050 -736.0767 21.157
202 2.9150 -736.0768 20.733
203 2.9251 -736.0770 20.318
204 2.9351 -736.0771 19.911
205 2.9451 -736.0773 19.514
206 2.9551 -736.0774 19.124
207 2.9652 -736.0776 18.747
208 2.9752 -736.0777 18.377
209 2.9852 -736.0778 18.015
210 2.9952 -736.0780 17.660
211 3.0053 -736.0781 17.316
212 3.0153 -736.0782 16.979
213 3.0253 -736.0784 16.648
214 3.0353 -736.0785 16.323
215 3.0454 -736.0786 16.005
216 3.0554 -736.0787 15.693
217 3.0654 -736.0788 15.387
218 3.0754 -736.0790 15.086
219 3.0855 -736.0791 14.792
220 3.0955 -736.0792 14.503
221 3.1055 -736.0793 14.220
222 3.1155 -736.0794 13.943
223 3.1256 -736.0795 13.671
224 3.1356 -736.0796 13.404
225 3.1456 -736.0797 13.142
226 3.1556 -736.0798 12.885
227 3.1657 -736.0799 12.633
228 3.1757 -736.0800 12.386
229 3.1857 -736.0801 12.144
230 3.1957 -736.0802 11.906
231 3.2058 -736.0803 11.673
232 3.2158 -736.0804 11.430
233 3.2258 -736.0804 11.194
234 3.2358 -736.0805 10.966
235 3.2459 -736.0806 10.742
236 3.2559 -736.0807 10.525
237 3.2659 -736.0808 10.311
238 3.2759 -736.0809 10.102
239 3.2860 -736.0809 9.898
240 3.2960 -736.0810 9.698
241 3.3060 -736.0811 9.501
242 3.3160 -736.0812 9.309
243 3.3261 -736.0812 9.120
244 3.3361 -736.0813 8.935
245 3.3461 -736.0814 8.745
246 3.3561 -736.0814 8.562
247 3.3662 -736.0815 8.383
248 3.3762 -736.0816 8.209
249 3.3862 -736.0816 8.039
250 3.3962 -736.0817 7.872
251 3.4063 -736.0818 7.708
252 3.4163 -736.0818 7.547
253 3.4263 -736.0819 7.390
254 3.4363 -736.0820 7.235
255 3.4464 -736.0820 7.083
256 3.4564 -736.0821 6.933
257 3.4664 -736.0821 6.787
258 3.4764 -736.0822 6.643
259 3.4865 -736.0822 6.482
260 3.4965 -736.0823 6.328
261 3.5065 -736.0824 6.181
262 3.5165 -736.0824 6.040
263 3.5266 -736.0825 5.903
264 3.5366 -736.0825 5.768
265 3.5466 -736.0826 5.637
266 3.5566 -736.0826 5.502
267 3.5667 -736.0827 5.371
268 3.5767 -736.0827 5.244
269 3.5867 -736.0828 5.120
270 3.5967 -736.0828 4.999
271 3.6068 -736.0829 4.880
272 3.6168 -736.0829 4.764
273 3.6268 -736.0829 4.650
274 3.6368 -736.0830 4.539
275 3.6469 -736.0830 4.429
276 3.6569 -736.0831 4.322
277 3.6669 -736.0831 4.217
278 3.6769 -736.0831 4.114
279 3.6870 -736.0832 4.013
280 3.6970 -736.0832 3.914
281 3.7070 -736.0833 3.817
282 3.7170 -736.0833 3.715
283 3.7271 -736.0833 3.615
284 3.7371 -736.0834 3.515
285 3.7471 -736.0834 3.420
286 3.7571 -736.0834 3.328
287 3.7672 -736.0835 3.238
288 3.7772 -736.0835 3.150
289 3.7872 -736.0835 3.064
290 3.7972 -736.0836 2.981
291 3.8073 -736.0836 2.899
292 3.8173 -736.0836 2.819
293 3.8273 -736.0837 2.740
294 3.8373 -736.0837 2.664
295 3.8474 -736.0837 2.589
296 3.8574 -736.0838 2.516
297 3.8674 -736.0838 2.444
298 3.8774 -736.0838 2.374
299 3.8875 -736.0838 2.306
300 3.8975 -736.0839 2.239
301 3.9075 -736.0839 2.174
302 3.9175 -736.0839 2.109
303 3.9276 -736.0839 2.047
304 3.9376 -736.0840 1.986
305 3.9476 -736.0840 1.926
306 3.9576 -736.0840 1.868
307 3.9677 -736.0840 1.810
308 3.9777 -736.0840 1.755
309 3.9877 -736.0841 1.700
310 3.9977 -736.0841 1.647
311 4.0078 -736.0841 1.596
312 4.0178 -736.0841 1.545
313 4.0278 -736.0841 1.496
314 4.0378 -736.0842 1.448
315 4.0479 -736.0842 1.401
316 4.0579 -736.0842 1.355
317 4.0679 -736.0842 1.310
318 4.0779 -736.0842 1.267
319 4.0880 -736.0842 1.225
320 4.0980 -736.0843 1.184
321 4.1080 -736.0843 1.144
322 4.1180 -736.0843 1.105
323 4.1281 -736.0843 1.067
324 4.1381 -736.0843 1.030
325 4.1481 -736.0843 0.994
326 4.1581 -736.0843 0.959
327 4.1682 -736.0844 0.925
328 4.1782 -736.0844 0.892
329 4.1882 -736.0844 0.860
330 4.1982 -736.0844 0.829
331 4.2083 -736.0844 0.798
332 4.2183 -736.0844 0.769
333 4.2283 -736.0844 0.740
334 4.2383 -736.0844 0.712
335 4.2484 -736.0844 0.685
336 4.2584 -736.0845 0.659
337 4.2684 -736.0845 0.634
338 4.2784 -736.0845 0.609
339 4.2885 -736.0845 0.585
340 4.2985 -736.0845 0.561
341 4.3085 -736.0845 0.538
342 4.3185 -736.0845 0.516
343 4.3286 -736.0845 0.495
344 4.3386 -736.0845 0.474
345 4.3486 -736.0845 0.454
346 4.3586 -736.0845 0.434
347 4.3687 -736.0846 0.415
348 4.3787 -736.0846 0.397
349 4.3887 -736.0846 0.379
350 4.3987 -736.0846 0.361
351 4.4088 -736.0846 0.345
352 4.4188 -736.0846 0.328
353 4.4288 -736.0846 0.313
354 4.4388 -736.0846 0.298
355 4.4489 -736.0846 0.283
356 4.4589 -736.0846 0.270
357 4.4689 -736.0846 0.256
358 4.4789 -736.0846 0.243
359 4.4890 -736.0846 0.231
360 4.4990 -736.0846 0.219
361 4.5090 -736.0846 0.208
362 4.5190 -736.0846 0.197
363 4.5291 -736.0846 0.187
364 4.5391 -736.0846 0.177
365 4.5491 -736.0846 0.168
366 4.5591 -736.0846 0.159
367 4.5692 -736.0847 0.150
368 4.5792 -736.0847 0.142
369 4.5892 -736.0847 0.134
370 4.5992 -736.0847 0.127
371 4.6093 -736.0847 0.120
372 4.6193 -736.0847 0.113
373 4.6293 -736.0847 0.106
374 4.6393 -736.0847 0.100
375 4.6494 -736.0847 0.094
376 4.6594 -736.0847 0.088
377 4.6694 -736.0847 0.082
378 4.6794 -736.0847 0.077
379 4.6895 -736.0847 0.072
380 4.6995 -736.0847 0.067
381 4.7095 -736.0847 0.062
382 4.7195 -736.0847 0.057
383 4.7296 -736.0847 0.053
384 4.7396 -736.0847 0.049
385 4.7496 -736.0847 0.044
386 4.7596 -736.0847 0.040
387 4.7697 -736.0847 0.037
388 4.7797 -736.0847 0.033
389 4.7897 -736.0847 0.029
390 4.7997 -736.0847 0.026
391 4.8098 -736.0847 0.023
392 4.8198 -736.0847 0.020
393 4.8298 -736.0847 0.017
394 4.8398 -736.0847 0.014
395 4.8499 -736.0847 0.011
396 4.8599 -736.0847 0.009
397 4.8699 -736.0847 0.006
398 4.8799 -736.0847 0.004
399 4.8900 -736.0847 0.002
400 4.9000 -736.0847 0.000