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 |