4-NO2PhN2+ Cl-
n | d, A | Eh | E, kJ/mol |
52 min | 1.4113 | -1005.8856 | 0.000 |
123 max | 2.1231 | -1005.8321 | 140.558 |
258 min | 3.4764 | -1005.8443 | 108.523 |
n | d, A | Eh | E, kJ/mol |
1 | 0.9000 | -1005.4045 | 1263.228 |
2 | 0.9100 | -1005.4363 | 1179.524 |
3 | 0.9201 | -1005.4664 | 1100.650 |
4 | 0.9301 | -1005.4947 | 1026.397 |
5 | 0.9401 | -1005.5213 | 956.502 |
6 | 0.9501 | -1005.5463 | 890.752 |
7 | 0.9602 | -1005.5699 | 828.933 |
8 | 0.9702 | -1005.5920 | 770.840 |
9 | 0.9802 | -1005.6128 | 716.282 |
10 | 0.9902 | -1005.6323 | 665.061 |
11 | 1.0003 | -1005.6506 | 616.995 |
12 | 1.0103 | -1005.6678 | 571.958 |
13 | 1.0203 | -1005.6839 | 529.694 |
14 | 1.0303 | -1005.6989 | 490.163 |
15 | 1.0404 | -1005.7130 | 453.098 |
16 | 1.0504 | -1005.7262 | 418.481 |
17 | 1.0604 | -1005.7386 | 386.054 |
18 | 1.0704 | -1005.7501 | 355.768 |
19 | 1.0805 | -1005.7608 | 327.537 |
20 | 1.0905 | -1005.7709 | 301.152 |
21 | 1.1005 | -1005.7803 | 276.508 |
22 | 1.1105 | -1005.7890 | 253.571 |
23 | 1.1206 | -1005.7972 | 232.192 |
24 | 1.1306 | -1005.8047 | 212.282 |
25 | 1.1406 | -1005.8118 | 193.747 |
26 | 1.1506 | -1005.8184 | 176.525 |
27 | 1.1607 | -1005.8245 | 160.480 |
28 | 1.1707 | -1005.8302 | 145.527 |
29 | 1.1807 | -1005.8354 | 131.723 |
30 | 1.1907 | -1005.8403 | 118.888 |
31 | 1.2008 | -1005.8449 | 106.908 |
32 | 1.2108 | -1005.8491 | 95.962 |
33 | 1.2208 | -1005.8530 | 85.661 |
34 | 1.2308 | -1005.8565 | 76.324 |
35 | 1.2409 | -1005.8599 | 67.583 |
36 | 1.2509 | -1005.8629 | 59.695 |
37 | 1.2609 | -1005.8657 | 52.359 |
38 | 1.2709 | -1005.8682 | 45.765 |
39 | 1.2810 | -1005.8705 | 39.750 |
40 | 1.2910 | -1005.8726 | 34.261 |
41 | 1.3010 | -1005.8744 | 29.389 |
42 | 1.3110 | -1005.8761 | 24.972 |
43 | 1.3211 | -1005.8801 | 14.436 |
44 | 1.3311 | -1005.8813 | 11.259 |
45 | 1.3411 | -1005.8824 | 8.517 |
46 | 1.3511 | -1005.8832 | 6.212 |
47 | 1.3612 | -1005.8840 | 4.325 |
48 | 1.3712 | -1005.8845 | 2.786 |
49 | 1.3812 | -1005.8850 | 1.617 |
50 | 1.3912 | -1005.8853 | 0.777 |
51 | 1.4013 | -1005.8855 | 0.233 |
52 | 1.4113 | -1005.8856 | 0.000 |
53 | 1.4213 | -1005.8856 | 0.057 |
54 | 1.4313 | -1005.8855 | 0.298 |
55 | 1.4414 | -1005.8853 | 0.803 |
56 | 1.4514 | -1005.8850 | 1.525 |
57 | 1.4614 | -1005.8847 | 2.462 |
58 | 1.4714 | -1005.8842 | 3.576 |
59 | 1.4815 | -1005.8838 | 4.857 |
60 | 1.4915 | -1005.8832 | 6.320 |
61 | 1.5015 | -1005.8826 | 7.898 |
62 | 1.5115 | -1005.8819 | 9.629 |
63 | 1.5216 | -1005.8812 | 11.480 |
64 | 1.5316 | -1005.8805 | 13.464 |
65 | 1.5416 | -1005.8797 | 15.519 |
66 | 1.5516 | -1005.8789 | 17.690 |
67 | 1.5617 | -1005.8780 | 19.941 |
68 | 1.5717 | -1005.8771 | 22.307 |
69 | 1.5817 | -1005.8762 | 24.658 |
70 | 1.5917 | -1005.8753 | 27.126 |
71 | 1.6018 | -1005.8743 | 29.637 |
72 | 1.6118 | -1005.8733 | 32.186 |
73 | 1.6218 | -1005.8723 | 34.797 |
74 | 1.6318 | -1005.8713 | 37.445 |
75 | 1.6419 | -1005.8703 | 40.111 |
76 | 1.6519 | -1005.8693 | 42.850 |
77 | 1.6619 | -1005.8683 | 45.519 |
78 | 1.6719 | -1005.8672 | 48.417 |
79 | 1.6820 | -1005.8662 | 50.973 |
80 | 1.6920 | -1005.8651 | 53.732 |
81 | 1.7020 | -1005.8641 | 56.501 |
82 | 1.7120 | -1005.8630 | 59.247 |
83 | 1.7221 | -1005.8620 | 61.991 |
84 | 1.7321 | -1005.8609 | 64.746 |
85 | 1.7421 | -1005.8598 | 67.609 |
86 | 1.7521 | -1005.8589 | 70.195 |
87 | 1.7622 | -1005.8578 | 72.919 |
88 | 1.7722 | -1005.8568 | 75.623 |
89 | 1.7822 | -1005.8558 | 78.288 |
90 | 1.7922 | -1005.8548 | 80.958 |
91 | 1.8023 | -1005.8538 | 83.602 |
92 | 1.8123 | -1005.8528 | 86.234 |
93 | 1.8223 | -1005.8518 | 88.801 |
94 | 1.8323 | -1005.8508 | 91.376 |
95 | 1.8424 | -1005.8498 | 93.906 |
96 | 1.8524 | -1005.8489 | 96.390 |
97 | 1.8624 | -1005.8479 | 98.877 |
98 | 1.8724 | -1005.8470 | 101.352 |
99 | 1.8825 | -1005.8461 | 103.736 |
100 | 1.8925 | -1005.8452 | 106.092 |
101 | 1.9025 | -1005.8443 | 108.439 |
102 | 1.9125 | -1005.8434 | 110.845 |
103 | 1.9226 | -1005.8426 | 112.977 |
104 | 1.9326 | -1005.8417 | 115.214 |
105 | 1.9426 | -1005.8409 | 117.416 |
106 | 1.9526 | -1005.8401 | 119.524 |
107 | 1.9627 | -1005.8393 | 121.659 |
108 | 1.9727 | -1005.8385 | 123.684 |
109 | 1.9827 | -1005.8378 | 125.537 |
110 | 1.9927 | -1005.8370 | 127.481 |
111 | 2.0028 | -1005.8362 | 129.622 |
112 | 2.0128 | -1005.8356 | 131.225 |
113 | 2.0228 | -1005.8350 | 132.800 |
114 | 2.0328 | -1005.8344 | 134.475 |
115 | 2.0429 | -1005.8336 | 136.397 |
116 | 2.0529 | -1005.8333 | 137.193 |
117 | 2.0629 | -1005.8329 | 138.427 |
118 | 2.0729 | -1005.8324 | 139.651 |
119 | 2.0830 | -1005.8324 | 139.676 |
120 | 2.0930 | -1005.8323 | 140.020 |
121 | 2.1030 | -1005.8321 | 140.345 |
122 | 2.1130 | -1005.8321 | 140.415 |
123 | 2.1231 | -1005.8321 | 140.558 |
124 | 2.1331 | -1005.8322 | 140.268 |
125 | 2.1431 | -1005.8322 | 140.168 |
126 | 2.1531 | -1005.8323 | 140.034 |
127 | 2.1632 | -1005.8323 | 139.897 |
128 | 2.1732 | -1005.8331 | 137.713 |
129 | 2.1832 | -1005.8334 | 136.985 |
130 | 2.1932 | -1005.8337 | 136.318 |
131 | 2.2033 | -1005.8340 | 135.602 |
132 | 2.2133 | -1005.8342 | 134.928 |
133 | 2.2233 | -1005.8345 | 134.263 |
134 | 2.2333 | -1005.8347 | 133.570 |
135 | 2.2434 | -1005.8350 | 132.935 |
136 | 2.2534 | -1005.8352 | 132.262 |
137 | 2.2634 | -1005.8355 | 131.629 |
138 | 2.2734 | -1005.8357 | 131.008 |
139 | 2.2835 | -1005.8359 | 130.366 |
140 | 2.2935 | -1005.8362 | 129.762 |
141 | 2.3035 | -1005.8364 | 129.247 |
142 | 2.3135 | -1005.8366 | 128.564 |
143 | 2.3236 | -1005.8369 | 127.992 |
144 | 2.3336 | -1005.8371 | 127.438 |
145 | 2.3436 | -1005.8373 | 126.856 |
146 | 2.3536 | -1005.8375 | 126.323 |
147 | 2.3637 | -1005.8377 | 125.769 |
148 | 2.3737 | -1005.8379 | 125.261 |
149 | 2.3837 | -1005.8381 | 124.734 |
150 | 2.3937 | -1005.8383 | 124.247 |
151 | 2.4038 | -1005.8385 | 123.740 |
152 | 2.4138 | -1005.8386 | 123.279 |
153 | 2.4238 | -1005.8388 | 122.801 |
154 | 2.4338 | -1005.8390 | 122.357 |
155 | 2.4439 | -1005.8392 | 121.945 |
156 | 2.4539 | -1005.8393 | 121.480 |
157 | 2.4639 | -1005.8395 | 121.067 |
158 | 2.4739 | -1005.8396 | 120.670 |
159 | 2.4840 | -1005.8398 | 120.245 |
160 | 2.4940 | -1005.8399 | 119.863 |
161 | 2.5040 | -1005.8401 | 119.454 |
162 | 2.5140 | -1005.8402 | 119.106 |
163 | 2.5241 | -1005.8404 | 118.726 |
164 | 2.5341 | -1005.8405 | 118.384 |
165 | 2.5441 | -1005.8406 | 118.055 |
166 | 2.5541 | -1005.8408 | 117.706 |
167 | 2.5642 | -1005.8409 | 117.394 |
168 | 2.5742 | -1005.8410 | 117.066 |
169 | 2.5842 | -1005.8411 | 116.774 |
170 | 2.5942 | -1005.8412 | 116.468 |
171 | 2.6043 | -1005.8413 | 116.190 |
172 | 2.6143 | -1005.8415 | 115.906 |
173 | 2.6243 | -1005.8416 | 115.644 |
174 | 2.6343 | -1005.8417 | 115.371 |
175 | 2.6444 | -1005.8418 | 115.127 |
176 | 2.6544 | -1005.8418 | 114.868 |
177 | 2.6644 | -1005.8419 | 114.640 |
178 | 2.6744 | -1005.8420 | 114.399 |
179 | 2.6845 | -1005.8421 | 114.183 |
180 | 2.6945 | -1005.8422 | 113.960 |
181 | 2.7045 | -1005.8423 | 113.756 |
182 | 2.7145 | -1005.8424 | 113.541 |
183 | 2.7246 | -1005.8424 | 113.351 |
184 | 2.7346 | -1005.8425 | 113.146 |
185 | 2.7446 | -1005.8426 | 112.970 |
186 | 2.7546 | -1005.8426 | 112.781 |
187 | 2.7647 | -1005.8427 | 112.614 |
188 | 2.7747 | -1005.8428 | 112.479 |
189 | 2.7847 | -1005.8428 | 112.283 |
190 | 2.7947 | -1005.8429 | 112.133 |
191 | 2.8048 | -1005.8429 | 111.990 |
192 | 2.8148 | -1005.8430 | 111.825 |
193 | 2.8248 | -1005.8431 | 111.691 |
194 | 2.8348 | -1005.8431 | 111.541 |
195 | 2.8449 | -1005.8432 | 111.417 |
196 | 2.8549 | -1005.8432 | 111.280 |
197 | 2.8649 | -1005.8433 | 111.164 |
198 | 2.8749 | -1005.8433 | 111.034 |
199 | 2.8850 | -1005.8433 | 110.929 |
200 | 2.8950 | -1005.8434 | 110.811 |
201 | 2.9050 | -1005.8434 | 110.711 |
202 | 2.9150 | -1005.8435 | 110.642 |
203 | 2.9251 | -1005.8435 | 110.509 |
204 | 2.9351 | -1005.8435 | 110.420 |
205 | 2.9451 | -1005.8436 | 110.337 |
206 | 2.9551 | -1005.8436 | 110.231 |
207 | 2.9652 | -1005.8436 | 110.154 |
208 | 2.9752 | -1005.8437 | 110.060 |
209 | 2.9852 | -1005.8437 | 109.989 |
210 | 2.9952 | -1005.8437 | 109.904 |
211 | 3.0053 | -1005.8438 | 109.837 |
212 | 3.0153 | -1005.8438 | 109.870 |
213 | 3.0253 | -1005.8438 | 109.699 |
214 | 3.0353 | -1005.8438 | 109.640 |
215 | 3.0454 | -1005.8439 | 109.587 |
216 | 3.0554 | -1005.8439 | 109.512 |
217 | 3.0654 | -1005.8439 | 109.461 |
218 | 3.0754 | -1005.8439 | 109.461 |
219 | 3.0855 | -1005.8440 | 109.351 |
220 | 3.0955 | -1005.8440 | 109.306 |
221 | 3.1055 | -1005.8440 | 109.265 |
222 | 3.1155 | -1005.8440 | 109.203 |
223 | 3.1256 | -1005.8440 | 109.167 |
224 | 3.1356 | -1005.8440 | 109.310 |
225 | 3.1456 | -1005.8441 | 109.082 |
226 | 3.1556 | -1005.8441 | 109.050 |
227 | 3.1657 | -1005.8441 | 109.025 |
228 | 3.1757 | -1005.8441 | 108.975 |
229 | 3.1857 | -1005.8441 | 108.948 |
230 | 3.1957 | -1005.8441 | 108.907 |
231 | 3.2058 | -1005.8441 | 108.879 |
232 | 3.2158 | -1005.8441 | 108.848 |
233 | 3.2258 | -1005.8442 | 108.823 |
234 | 3.2358 | -1005.8442 | 108.809 |
235 | 3.2459 | -1005.8440 | 109.112 |
236 | 3.2559 | -1005.8442 | 108.760 |
237 | 3.2659 | -1005.8442 | 108.745 |
238 | 3.2759 | -1005.8442 | 108.747 |
239 | 3.2860 | -1005.8442 | 108.705 |
240 | 3.2960 | -1005.8442 | 108.693 |
241 | 3.3060 | -1005.8442 | 108.685 |
242 | 3.3160 | -1005.8441 | 108.898 |
243 | 3.3261 | -1005.8442 | 108.646 |
244 | 3.3361 | -1005.8442 | 108.637 |
245 | 3.3461 | -1005.8442 | 108.637 |
246 | 3.3561 | -1005.8442 | 108.608 |
247 | 3.3662 | -1005.8442 | 108.601 |
248 | 3.3762 | -1005.8442 | 108.603 |
249 | 3.3862 | -1005.8442 | 108.577 |
250 | 3.3962 | -1005.8442 | 108.572 |
251 | 3.4063 | -1005.8442 | 108.577 |
252 | 3.4163 | -1005.8443 | 108.553 |
253 | 3.4263 | -1005.8443 | 108.550 |
254 | 3.4363 | -1005.8443 | 108.555 |
255 | 3.4464 | -1005.8443 | 108.535 |
256 | 3.4564 | -1005.8443 | 108.534 |
257 | 3.4664 | -1005.8443 | 108.544 |
258 | 3.4764 | -1005.8443 | 108.523 |
259 | 3.4865 | -1005.8443 | 108.524 |
260 | 3.4965 | -1005.8443 | 108.530 |
261 | 3.5065 | -1005.8441 | 108.850 |
262 | 3.5165 | -1005.8443 | 108.516 |
263 | 3.5266 | -1005.8443 | 108.519 |
264 | 3.5366 | -1005.8443 | 108.538 |
265 | 3.5466 | -1005.8443 | 108.513 |
266 | 3.5566 | -1005.8443 | 108.517 |
267 | 3.5667 | -1005.8443 | 108.523 |
268 | 3.5767 | -1005.8442 | 108.731 |
269 | 3.5867 | -1005.8443 | 108.516 |
270 | 3.5967 | -1005.8443 | 108.520 |
271 | 3.6068 | -1005.8443 | 108.532 |
272 | 3.6168 | -1005.8443 | 108.516 |
273 | 3.6268 | -1005.8443 | 108.521 |
274 | 3.6368 | -1005.8443 | 108.536 |
275 | 3.6469 | -1005.8443 | 108.520 |
276 | 3.6569 | -1005.8443 | 108.525 |
277 | 3.6669 | -1005.8443 | 108.535 |
278 | 3.6769 | -1005.8441 | 108.898 |
279 | 3.6870 | -1005.8443 | 108.528 |
280 | 3.6970 | -1005.8443 | 108.533 |
281 | 3.7070 | -1005.8443 | 108.559 |
282 | 3.7170 | -1005.8443 | 108.532 |
283 | 3.7271 | -1005.8443 | 108.538 |
284 | 3.7371 | -1005.8443 | 108.547 |
285 | 3.7471 | -1005.8442 | 108.724 |
286 | 3.7571 | -1005.8443 | 108.543 |
287 | 3.7672 | -1005.8443 | 108.549 |
288 | 3.7772 | -1005.8443 | 108.563 |
289 | 3.7872 | -1005.8443 | 108.547 |
290 | 3.7972 | -1005.8443 | 108.555 |
291 | 3.8073 | -1005.8442 | 108.576 |
292 | 3.8173 | -1005.8443 | 108.555 |
293 | 3.8273 | -1005.8443 | 108.562 |
294 | 3.8373 | -1005.8442 | 108.573 |
295 | 3.8474 | -1005.8443 | 108.561 |
296 | 3.8574 | -1005.8442 | 108.568 |
297 | 3.8674 | -1005.8442 | 108.623 |
298 | 3.8774 | -1005.8442 | 108.571 |
299 | 3.8875 | -1005.8442 | 108.578 |
300 | 3.8975 | -1005.8442 | 108.587 |
301 | 3.9075 | -1005.8442 | 108.574 |
302 | 3.9175 | -1005.8442 | 108.582 |
303 | 3.9276 | -1005.8442 | 108.665 |
304 | 3.9376 | -1005.8442 | 108.584 |
305 | 3.9476 | -1005.8442 | 108.591 |
306 | 3.9576 | -1005.8442 | 108.601 |
307 | 3.9677 | -1005.8442 | 108.588 |
308 | 3.9777 | -1005.8442 | 108.596 |
309 | 3.9877 | -1005.8442 | 108.653 |
310 | 3.9977 | -1005.8442 | 108.596 |
311 | 4.0078 | -1005.8442 | 108.603 |
312 | 4.0178 | -1005.8442 | 108.612 |
313 | 4.0278 | -1005.8442 | 108.598 |
314 | 4.0378 | -1005.8442 | 108.605 |
315 | 4.0479 | -1005.8442 | 108.687 |
316 | 4.0579 | -1005.8442 | 108.606 |
317 | 4.0679 | -1005.8442 | 108.612 |
318 | 4.0779 | -1005.8442 | 108.621 |
319 | 4.0880 | -1005.8442 | 108.607 |
320 | 4.0980 | -1005.8442 | 108.614 |
321 | 4.1080 | -1005.8442 | 108.672 |
322 | 4.1180 | -1005.8442 | 108.614 |
323 | 4.1281 | -1005.8442 | 108.621 |
324 | 4.1381 | -1005.8442 | 108.629 |
325 | 4.1481 | -1005.8442 | 108.615 |
326 | 4.1581 | -1005.8442 | 108.622 |
327 | 4.1682 | -1005.8442 | 108.612 |
328 | 4.1782 | -1005.8442 | 108.619 |
329 | 4.1882 | -1005.8442 | 108.609 |
330 | 4.1982 | -1005.8442 | 108.613 |
331 | 4.2083 | -1005.8442 | 108.638 |
332 | 4.2183 | -1005.8442 | 108.610 |
333 | 4.2283 | -1005.8442 | 108.615 |
334 | 4.2383 | -1005.8442 | 108.623 |
335 | 4.2484 | -1005.8442 | 108.607 |
336 | 4.2584 | -1005.8442 | 108.612 |
337 | 4.2684 | -1005.8442 | 108.607 |
338 | 4.2784 | -1005.8442 | 108.608 |
339 | 4.2885 | -1005.8442 | 108.598 |
340 | 4.2985 | -1005.8442 | 108.603 |
341 | 4.3085 | -1005.8442 | 108.591 |
342 | 4.3185 | -1005.8442 | 108.600 |
343 | 4.3286 | -1005.8442 | 108.589 |
344 | 4.3386 | -1005.8442 | 108.593 |
345 | 4.3486 | -1005.8442 | 108.612 |
346 | 4.3586 | -1005.8442 | 108.589 |
347 | 4.3687 | -1005.8442 | 108.593 |
348 | 4.3787 | -1005.8442 | 108.603 |
349 | 4.3887 | -1005.8442 | 108.586 |
350 | 4.3987 | -1005.8442 | 108.590 |
351 | 4.4088 | -1005.8442 | 108.622 |
352 | 4.4188 | -1005.8442 | 108.585 |
353 | 4.4288 | -1005.8442 | 108.590 |
354 | 4.4388 | -1005.8442 | 108.597 |
355 | 4.4489 | -1005.8442 | 108.579 |
356 | 4.4589 | -1005.8442 | 108.584 |
357 | 4.4689 | -1005.8442 | 108.570 |
358 | 4.4789 | -1005.8442 | 108.580 |
359 | 4.4890 | -1005.8442 | 108.567 |
360 | 4.4990 | -1005.8442 | 108.571 |
361 | 4.5090 | -1005.8442 | 108.590 |
362 | 4.5190 | -1005.8442 | 108.566 |
363 | 4.5291 | -1005.8442 | 108.570 |
364 | 4.5391 | -1005.8442 | 108.581 |
365 | 4.5491 | -1005.8443 | 108.562 |
366 | 4.5591 | -1005.8442 | 108.566 |
367 | 4.5692 | -1005.8442 | 108.595 |
368 | 4.5792 | -1005.8443 | 108.560 |
369 | 4.5892 | -1005.8442 | 108.565 |
370 | 4.5992 | -1005.8442 | 108.574 |
371 | 4.6093 | -1005.8443 | 108.555 |
372 | 4.6193 | -1005.8444 | 108.082 |
373 | 4.6293 | -1005.8444 | 108.078 |
374 | 4.6393 | -1005.8444 | 108.103 |
375 | 4.6494 | -1005.8444 | 108.068 |
376 | 4.6594 | -1005.8444 | 108.066 |
377 | 4.6694 | -1005.8444 | 108.065 |
378 | 4.6794 | -1005.8444 | 108.100 |
379 | 4.6895 | -1005.8444 | 108.058 |
380 | 4.6995 | -1005.8444 | 108.058 |
381 | 4.7095 | -1005.8444 | 108.059 |
382 | 4.7195 | -1005.8444 | 108.053 |
383 | 4.7296 | -1005.8444 | 108.063 |
384 | 4.7396 | -1005.8444 | 108.050 |
385 | 4.7496 | -1005.8444 | 108.052 |
386 | 4.7596 | -1005.8444 | 108.055 |
387 | 4.7697 | -1005.8444 | 108.049 |
388 | 4.7797 | -1005.8444 | 108.061 |
389 | 4.7897 | -1005.8444 | 108.049 |
390 | 4.7997 | -1005.8444 | 108.052 |
391 | 4.8098 | -1005.8444 | 108.057 |
392 | 4.8198 | -1005.8444 | 108.052 |
393 | 4.8298 | -1005.8444 | 108.061 |
394 | 4.8398 | -1005.8444 | 108.054 |
395 | 4.8499 | -1005.8444 | 108.059 |
396 | 4.8599 | -1005.8444 | 108.067 |
397 | 4.8699 | -1005.8444 | 108.061 |
398 | 4.8799 | -1005.8444 | 108.066 |