4-NO2PhN2+ NO3-
n | d, A | Eh | E, kJ/mol |
43 min | 1.3211 | -825.9699 | 293.641 |
78 max | 1.6719 | -825.9286 | 401.926 |
79 min | 1.6820 | -825.9591 | 321.820 |
98 max | 1.8724 | -825.9436 | 362.692 |
374 min | 4.6393 | -826.0817 | 0.000 |
n | d, A | Eh | E, kJ/mol |
1 | 0.9000 | -825.5329 | 1440.950 |
2 | 0.9100 | -825.5649 | 1356.774 |
3 | 0.9201 | -825.5951 | 1277.656 |
4 | 0.9301 | -825.6233 | 1203.442 |
5 | 0.9401 | -825.6499 | 1133.849 |
6 | 0.9501 | -825.6747 | 1068.730 |
7 | 0.9602 | -825.6980 | 1007.495 |
8 | 0.9702 | -825.7198 | 950.248 |
9 | 0.9802 | -825.7402 | 896.700 |
10 | 0.9902 | -825.7592 | 846.862 |
11 | 1.0003 | -825.7771 | 799.856 |
12 | 1.0103 | -825.7937 | 756.192 |
13 | 1.0203 | -825.8092 | 715.460 |
14 | 1.0303 | -825.8237 | 677.510 |
15 | 1.0404 | -825.8370 | 642.456 |
16 | 1.0504 | -825.8496 | 609.349 |
17 | 1.0604 | -825.8612 | 578.844 |
18 | 1.0704 | -825.8720 | 550.572 |
19 | 1.0805 | -825.8820 | 524.380 |
20 | 1.0905 | -825.8912 | 500.198 |
21 | 1.1005 | -825.8997 | 477.787 |
22 | 1.1105 | -825.9076 | 457.200 |
23 | 1.1206 | -825.9148 | 438.245 |
24 | 1.1306 | -825.9214 | 420.884 |
25 | 1.1406 | -825.9275 | 404.984 |
26 | 1.1506 | -825.9330 | 390.493 |
27 | 1.1607 | -825.9380 | 377.387 |
28 | 1.1707 | -825.9426 | 365.356 |
29 | 1.1807 | -825.9467 | 354.585 |
30 | 1.1907 | -825.9503 | 344.918 |
31 | 1.2008 | -825.9536 | 336.266 |
32 | 1.2108 | -825.9566 | 328.588 |
33 | 1.2208 | -825.9591 | 321.847 |
34 | 1.2308 | -825.9614 | 315.924 |
35 | 1.2409 | -825.9633 | 310.861 |
36 | 1.2509 | -825.9650 | 306.498 |
37 | 1.2609 | -825.9664 | 302.883 |
38 | 1.2709 | -825.9675 | 299.907 |
39 | 1.2810 | -825.9684 | 297.572 |
40 | 1.2910 | -825.9690 | 295.842 |
41 | 1.3010 | -825.9695 | 294.614 |
42 | 1.3110 | -825.9698 | 293.877 |
43 | 1.3211 | -825.9699 | 293.641 |
44 | 1.3311 | -825.9698 | 293.850 |
45 | 1.3411 | -825.9696 | 294.443 |
46 | 1.3511 | -825.9691 | 295.598 |
47 | 1.3612 | -825.9687 | 296.717 |
48 | 1.3712 | -825.9681 | 298.361 |
49 | 1.3812 | -825.9673 | 300.283 |
50 | 1.3912 | -825.9665 | 302.493 |
51 | 1.4013 | -825.9656 | 304.916 |
52 | 1.4113 | -825.9646 | 307.587 |
53 | 1.4213 | -825.9634 | 310.627 |
54 | 1.4313 | -825.9623 | 313.482 |
55 | 1.4414 | -825.9610 | 317.011 |
56 | 1.4514 | -825.9598 | 320.023 |
57 | 1.4614 | -825.9585 | 323.499 |
58 | 1.4714 | -825.9571 | 327.112 |
59 | 1.4815 | -825.9557 | 330.735 |
60 | 1.4915 | -825.9543 | 334.490 |
61 | 1.5015 | -825.9529 | 338.282 |
62 | 1.5115 | -825.9514 | 342.171 |
63 | 1.5216 | -825.9499 | 346.062 |
64 | 1.5316 | -825.9484 | 349.939 |
65 | 1.5416 | -825.9469 | 353.879 |
66 | 1.5516 | -825.9454 | 357.824 |
67 | 1.5617 | -825.9439 | 361.791 |
68 | 1.5717 | -825.9425 | 365.633 |
69 | 1.5817 | -825.9410 | 369.528 |
70 | 1.5917 | -825.9395 | 373.345 |
71 | 1.6018 | -825.9381 | 377.161 |
72 | 1.6118 | -825.9366 | 380.874 |
73 | 1.6218 | -825.9352 | 384.577 |
74 | 1.6318 | -825.9339 | 388.177 |
75 | 1.6419 | -825.9325 | 391.741 |
76 | 1.6519 | -825.9312 | 395.178 |
77 | 1.6619 | -825.9299 | 398.589 |
78 | 1.6719 | -825.9286 | 401.926 |
79 | 1.6820 | -825.9591 | 321.820 |
80 | 1.6920 | -825.9587 | 323.101 |
81 | 1.7020 | -825.9578 | 325.462 |
82 | 1.7120 | -825.9569 | 327.789 |
83 | 1.7221 | -825.9560 | 330.146 |
84 | 1.7321 | -825.9551 | 332.499 |
85 | 1.7421 | -825.9542 | 334.817 |
86 | 1.7521 | -825.9533 | 337.148 |
87 | 1.7622 | -825.9523 | 339.681 |
88 | 1.7722 | -825.9516 | 341.736 |
89 | 1.7822 | -825.9507 | 344.008 |
90 | 1.7922 | -825.9498 | 346.267 |
91 | 1.8023 | -825.9490 | 348.436 |
92 | 1.8123 | -825.9482 | 350.623 |
93 | 1.8223 | -825.9474 | 352.688 |
94 | 1.8323 | -825.9466 | 354.829 |
95 | 1.8424 | -825.9458 | 356.831 |
96 | 1.8524 | -825.9450 | 358.856 |
97 | 1.8624 | -825.9443 | 360.856 |
98 | 1.8724 | -825.9436 | 362.692 |
99 | 1.8825 | -826.0129 | 180.738 |
100 | 1.8925 | -826.0143 | 176.930 |
101 | 1.9025 | -826.0157 | 173.225 |
102 | 1.9125 | -826.0171 | 169.696 |
103 | 1.9226 | -826.0185 | 165.933 |
104 | 1.9326 | -826.0199 | 162.362 |
105 | 1.9426 | -826.0211 | 159.204 |
106 | 1.9526 | -826.0225 | 155.350 |
107 | 1.9627 | -826.0238 | 152.009 |
108 | 1.9727 | -826.0251 | 148.536 |
109 | 1.9827 | -826.0264 | 145.208 |
110 | 1.9927 | -826.0276 | 141.962 |
111 | 2.0028 | -826.0289 | 138.694 |
112 | 2.0128 | -826.0301 | 135.520 |
113 | 2.0228 | -826.0313 | 132.403 |
114 | 2.0328 | -826.0323 | 129.622 |
115 | 2.0429 | -826.0336 | 126.304 |
116 | 2.0529 | -826.0347 | 123.342 |
117 | 2.0629 | -826.0358 | 120.448 |
118 | 2.0729 | -826.0368 | 117.991 |
119 | 2.0830 | -826.0380 | 114.768 |
120 | 2.0930 | -826.0391 | 112.019 |
121 | 2.1030 | -826.0401 | 109.336 |
122 | 2.1130 | -826.0410 | 106.972 |
123 | 2.1231 | -826.0421 | 104.085 |
124 | 2.1331 | -826.0430 | 101.549 |
125 | 2.1431 | -826.0440 | 99.099 |
126 | 2.1531 | -826.0449 | 96.700 |
127 | 2.1632 | -826.0458 | 94.403 |
128 | 2.1732 | -826.0467 | 91.923 |
129 | 2.1832 | -826.0475 | 89.754 |
130 | 2.1932 | -826.0484 | 87.403 |
131 | 2.2033 | -826.0493 | 85.224 |
132 | 2.2133 | -826.0501 | 83.095 |
133 | 2.2233 | -826.0509 | 81.010 |
134 | 2.2333 | -826.0516 | 78.983 |
135 | 2.2434 | -826.0524 | 76.986 |
136 | 2.2534 | -826.0531 | 75.047 |
137 | 2.2634 | -826.0539 | 73.156 |
138 | 2.2734 | -826.0546 | 71.302 |
139 | 2.2835 | -826.0552 | 69.500 |
140 | 2.2935 | -826.0559 | 67.755 |
141 | 2.3035 | -826.0566 | 66.021 |
142 | 2.3135 | -826.0572 | 64.348 |
143 | 2.3236 | -826.0578 | 62.721 |
144 | 2.3336 | -826.0584 | 61.120 |
145 | 2.3436 | -826.0590 | 59.571 |
146 | 2.3536 | -826.0596 | 58.086 |
147 | 2.3637 | -826.0602 | 56.584 |
148 | 2.3737 | -826.0607 | 55.151 |
149 | 2.3837 | -826.0612 | 53.758 |
150 | 2.3937 | -826.0618 | 52.386 |
151 | 2.4038 | -826.0623 | 51.063 |
152 | 2.4138 | -826.0628 | 49.789 |
153 | 2.4238 | -826.0632 | 48.511 |
154 | 2.4338 | -826.0637 | 47.290 |
155 | 2.4439 | -826.0642 | 46.106 |
156 | 2.4539 | -826.0646 | 44.933 |
157 | 2.4639 | -826.0650 | 43.808 |
158 | 2.4739 | -826.0655 | 42.701 |
159 | 2.4840 | -826.0659 | 41.656 |
160 | 2.4940 | -826.0663 | 40.591 |
161 | 2.5040 | -826.0666 | 39.584 |
162 | 2.5140 | -826.0670 | 38.607 |
163 | 2.5241 | -826.0674 | 37.636 |
164 | 2.5341 | -826.0677 | 36.711 |
165 | 2.5441 | -826.0681 | 35.797 |
166 | 2.5541 | -826.0684 | 34.940 |
167 | 2.5642 | -826.0687 | 34.060 |
168 | 2.5742 | -826.0691 | 33.233 |
169 | 2.5842 | -826.0694 | 32.432 |
170 | 2.5942 | -826.0697 | 31.629 |
171 | 2.6043 | -826.0700 | 30.869 |
172 | 2.6143 | -826.0702 | 30.114 |
173 | 2.6243 | -826.0705 | 29.418 |
174 | 2.6343 | -826.0708 | 28.685 |
175 | 2.6444 | -826.0710 | 28.006 |
176 | 2.6544 | -826.0713 | 27.349 |
177 | 2.6644 | -826.0716 | 26.683 |
178 | 2.6744 | -826.0718 | 26.059 |
179 | 2.6845 | -826.0720 | 25.433 |
180 | 2.6945 | -826.0722 | 24.866 |
181 | 2.7045 | -826.0725 | 24.254 |
182 | 2.7145 | -826.0727 | 23.695 |
183 | 2.7246 | -826.0729 | 23.155 |
184 | 2.7346 | -826.0731 | 22.599 |
185 | 2.7446 | -826.0733 | 22.086 |
186 | 2.7546 | -826.0735 | 21.563 |
187 | 2.7647 | -826.0737 | 21.090 |
188 | 2.7747 | -826.0739 | 20.587 |
189 | 2.7847 | -826.0741 | 20.126 |
190 | 2.7947 | -826.0742 | 19.686 |
191 | 2.8048 | -826.0744 | 19.218 |
192 | 2.8148 | -826.0746 | 18.793 |
193 | 2.8248 | -826.0747 | 18.419 |
194 | 2.8348 | -826.0749 | 17.956 |
195 | 2.8449 | -826.0750 | 17.564 |
196 | 2.8549 | -826.0752 | 17.189 |
197 | 2.8649 | -826.0753 | 16.783 |
198 | 2.8749 | -826.0755 | 16.421 |
199 | 2.8850 | -826.0756 | 16.105 |
200 | 2.8950 | -826.0757 | 15.703 |
201 | 2.9050 | -826.0759 | 15.369 |
202 | 2.9150 | -826.0760 | 15.051 |
203 | 2.9251 | -826.0761 | 14.695 |
204 | 2.9351 | -826.0762 | 14.372 |
205 | 2.9451 | -826.0764 | 14.059 |
206 | 2.9551 | -826.0765 | 13.769 |
207 | 2.9652 | -826.0766 | 13.464 |
208 | 2.9752 | -826.0767 | 13.173 |
209 | 2.9852 | -826.0768 | 12.902 |
210 | 2.9952 | -826.0769 | 12.625 |
211 | 3.0053 | -826.0770 | 12.366 |
212 | 3.0153 | -826.0770 | 12.297 |
213 | 3.0253 | -826.0772 | 11.859 |
214 | 3.0353 | -826.0773 | 11.626 |
215 | 3.0454 | -826.0774 | 11.359 |
216 | 3.0554 | -826.0774 | 11.237 |
217 | 3.0654 | -826.0776 | 10.900 |
218 | 3.0754 | -826.0776 | 10.678 |
219 | 3.0855 | -826.0777 | 10.444 |
220 | 3.0955 | -826.0778 | 10.356 |
221 | 3.1055 | -826.0779 | 10.024 |
222 | 3.1155 | -826.0780 | 9.829 |
223 | 3.1256 | -826.0781 | 9.619 |
224 | 3.1356 | -826.0780 | 9.709 |
225 | 3.1456 | -826.0782 | 9.232 |
226 | 3.1556 | -826.0783 | 9.056 |
227 | 3.1657 | -826.0783 | 8.863 |
228 | 3.1757 | -826.0783 | 8.914 |
229 | 3.1857 | -826.0785 | 8.510 |
230 | 3.1957 | -826.0785 | 8.346 |
231 | 3.2058 | -826.0786 | 8.163 |
232 | 3.2158 | -826.0787 | 8.009 |
233 | 3.2258 | -826.0787 | 7.836 |
234 | 3.2358 | -826.0788 | 7.713 |
235 | 3.2459 | -826.0788 | 7.532 |
236 | 3.2559 | -826.0789 | 7.405 |
237 | 3.2659 | -826.0790 | 7.237 |
238 | 3.2759 | -826.0790 | 7.136 |
239 | 3.2860 | -826.0791 | 6.955 |
240 | 3.2960 | -826.0791 | 6.825 |
241 | 3.3060 | -826.0792 | 6.682 |
242 | 3.3160 | -826.0791 | 6.970 |
243 | 3.3261 | -826.0793 | 6.418 |
244 | 3.3361 | -826.0793 | 6.316 |
245 | 3.3461 | -826.0794 | 6.164 |
246 | 3.3561 | -826.0794 | 6.058 |
247 | 3.3662 | -826.0795 | 5.916 |
248 | 3.3762 | -826.0795 | 5.815 |
249 | 3.3862 | -826.0796 | 5.679 |
250 | 3.3962 | -826.0796 | 5.585 |
251 | 3.4063 | -826.0796 | 5.452 |
252 | 3.4163 | -826.0797 | 5.359 |
253 | 3.4263 | -826.0797 | 5.230 |
254 | 3.4363 | -826.0798 | 5.135 |
255 | 3.4464 | -826.0798 | 5.052 |
256 | 3.4564 | -826.0798 | 4.923 |
257 | 3.4664 | -826.0799 | 4.835 |
258 | 3.4764 | -826.0799 | 4.787 |
259 | 3.4865 | -826.0800 | 4.637 |
260 | 3.4965 | -826.0800 | 4.553 |
261 | 3.5065 | -826.0800 | 4.476 |
262 | 3.5165 | -826.0801 | 4.357 |
263 | 3.5266 | -826.0801 | 4.281 |
264 | 3.5366 | -826.0801 | 4.177 |
265 | 3.5466 | -826.0802 | 4.109 |
266 | 3.5566 | -826.0802 | 4.008 |
267 | 3.5667 | -826.0802 | 3.938 |
268 | 3.5767 | -826.0803 | 3.834 |
269 | 3.5867 | -826.0803 | 3.764 |
270 | 3.5967 | -826.0803 | 3.670 |
271 | 3.6068 | -826.0803 | 3.604 |
272 | 3.6168 | -826.0804 | 3.513 |
273 | 3.6268 | -826.0804 | 3.450 |
274 | 3.6368 | -826.0804 | 3.363 |
275 | 3.6469 | -826.0805 | 3.302 |
276 | 3.6569 | -826.0805 | 3.218 |
277 | 3.6669 | -826.0805 | 3.160 |
278 | 3.6769 | -826.0805 | 3.079 |
279 | 3.6870 | -826.0806 | 3.024 |
280 | 3.6970 | -826.0806 | 2.945 |
281 | 3.7070 | -826.0806 | 2.893 |
282 | 3.7170 | -826.0806 | 2.817 |
283 | 3.7271 | -826.0807 | 2.768 |
284 | 3.7371 | -826.0807 | 2.694 |
285 | 3.7471 | -826.0807 | 2.646 |
286 | 3.7571 | -826.0807 | 2.575 |
287 | 3.7672 | -826.0808 | 2.530 |
288 | 3.7772 | -826.0808 | 2.461 |
289 | 3.7872 | -826.0808 | 2.419 |
290 | 3.7972 | -826.0808 | 2.352 |
291 | 3.8073 | -826.0808 | 2.311 |
292 | 3.8173 | -826.0809 | 2.246 |
293 | 3.8273 | -826.0809 | 2.208 |
294 | 3.8373 | -826.0809 | 2.145 |
295 | 3.8474 | -826.0809 | 2.109 |
296 | 3.8574 | -826.0809 | 2.047 |
297 | 3.8674 | -826.0810 | 2.006 |
298 | 3.8774 | -826.0810 | 1.932 |
299 | 3.8875 | -826.0810 | 1.888 |
300 | 3.8975 | -826.0810 | 1.814 |
301 | 3.9075 | -826.0810 | 1.772 |
302 | 3.9175 | -826.0811 | 1.701 |
303 | 3.9276 | -826.0811 | 1.661 |
304 | 3.9376 | -826.0811 | 1.592 |
305 | 3.9476 | -826.0811 | 1.554 |
306 | 3.9576 | -826.0811 | 1.488 |
307 | 3.9677 | -826.0812 | 1.452 |
308 | 3.9777 | -826.0812 | 1.389 |
309 | 3.9877 | -826.0812 | 1.354 |
310 | 3.9977 | -826.0812 | 1.293 |
311 | 4.0078 | -826.0812 | 1.261 |
312 | 4.0178 | -826.0813 | 1.202 |
313 | 4.0278 | -826.0813 | 1.171 |
314 | 4.0378 | -826.0813 | 1.114 |
315 | 4.0479 | -826.0813 | 1.086 |
316 | 4.0579 | -826.0813 | 1.031 |
317 | 4.0679 | -826.0813 | 1.004 |
318 | 4.0779 | -826.0814 | 0.951 |
319 | 4.0880 | -826.0814 | 0.926 |
320 | 4.0980 | -826.0814 | 0.875 |
321 | 4.1080 | -826.0814 | 0.852 |
322 | 4.1180 | -826.0814 | 0.803 |
323 | 4.1281 | -826.0814 | 0.782 |
324 | 4.1381 | -826.0814 | 0.735 |
325 | 4.1481 | -826.0814 | 0.715 |
326 | 4.1581 | -826.0815 | 0.670 |
327 | 4.1682 | -826.0815 | 0.652 |
328 | 4.1782 | -826.0815 | 0.608 |
329 | 4.1882 | -826.0815 | 0.592 |
330 | 4.1982 | -826.0815 | 0.551 |
331 | 4.2083 | -826.0815 | 0.536 |
332 | 4.2183 | -826.0815 | 0.496 |
333 | 4.2283 | -826.0815 | 0.483 |
334 | 4.2383 | -826.0815 | 0.441 |
335 | 4.2484 | -826.0816 | 0.429 |
336 | 4.2584 | -826.0816 | 0.391 |
337 | 4.2684 | -826.0816 | 0.380 |
338 | 4.2784 | -826.0816 | 0.342 |
339 | 4.2885 | -826.0816 | 0.332 |
340 | 4.2985 | -826.0816 | 0.298 |
341 | 4.3085 | -826.0816 | 0.290 |
342 | 4.3185 | -826.0816 | 0.258 |
343 | 4.3286 | -826.0816 | 0.251 |
344 | 4.3386 | -826.0816 | 0.221 |
345 | 4.3486 | -826.0816 | 0.215 |
346 | 4.3586 | -826.0816 | 0.187 |
347 | 4.3687 | -826.0816 | 0.183 |
348 | 4.3787 | -826.0817 | 0.156 |
349 | 4.3887 | -826.0817 | 0.153 |
350 | 4.3987 | -826.0817 | 0.127 |
351 | 4.4088 | -826.0817 | 0.125 |
352 | 4.4188 | -826.0817 | 0.101 |
353 | 4.4288 | -826.0817 | 0.101 |
354 | 4.4388 | -826.0817 | 0.078 |
355 | 4.4489 | -826.0817 | 0.078 |
356 | 4.4589 | -826.0817 | 0.110 |
357 | 4.4689 | -826.0817 | 0.060 |
358 | 4.4789 | -826.0817 | 0.063 |
359 | 4.4890 | -826.0817 | 0.073 |
360 | 4.4990 | -826.0817 | 0.041 |
361 | 4.5090 | -826.0817 | 0.045 |
362 | 4.5190 | -826.0817 | 0.087 |
363 | 4.5291 | -826.0817 | 0.030 |
364 | 4.5391 | -826.0817 | 0.036 |
365 | 4.5491 | -826.0817 | 0.048 |
366 | 4.5591 | -826.0817 | 0.018 |
367 | 4.5692 | -826.0817 | 0.024 |
368 | 4.5792 | -826.0817 | 0.075 |
369 | 4.5892 | -826.0817 | 0.014 |
370 | 4.5992 | -826.0817 | 0.022 |
371 | 4.6093 | -826.0817 | 0.035 |
372 | 4.6193 | -826.0817 | 0.007 |
373 | 4.6293 | -826.0817 | 0.016 |
374 | 4.6393 | -826.0817 | 0.000 |
375 | 4.6494 | -826.0817 | 0.009 |
376 | 4.6594 | -826.0817 | 0.026 |
377 | 4.6694 | -826.0817 | 0.004 |
378 | 4.6794 | -826.0817 | 0.015 |
379 | 4.6895 | -826.0817 | 0.071 |
380 | 4.6995 | -826.0817 | 0.012 |
381 | 4.7095 | -826.0817 | 0.025 |
382 | 4.7195 | -826.0817 | 0.042 |
383 | 4.7296 | -826.0817 | 0.016 |
384 | 4.7396 | -826.0817 | 0.029 |
385 | 4.7496 | -826.0817 | 0.017 |
386 | 4.7596 | -826.0817 | 0.029 |
387 | 4.7697 | -826.0817 | 0.084 |
388 | 4.7797 | -826.0817 | 0.030 |
389 | 4.7897 | -826.0817 | 0.044 |
390 | 4.7997 | -826.0817 | 0.031 |
391 | 4.8098 | -826.0817 | 0.042 |
392 | 4.8198 | -826.0817 | 0.059 |
393 | 4.8298 | -826.0817 | 0.043 |
394 | 4.8398 | -826.0817 | 0.071 |
395 | 4.8499 | -826.0817 | 0.051 |
396 | 4.8599 | -826.0817 | 0.066 |
397 | 4.8699 | -826.0817 | 0.056 |
398 | 4.8799 | -826.0817 | 0.069 |
399 | 4.8900 | -826.0817 | 0.085 |
400 | 4.9000 | -826.0817 | 0.069 |