4-MeOPhN2+ Cl-
n | d, A | Eh | E, kJ/mol |
51 min | 1.4013 | -915.8967 | 0.000 |
130 max | 2.1932 | -915.8408 | 146.903 |
264 min | 3.5366 | -915.8478 | 128.335 |
n | d, A | Eh | E, kJ/mol |
1 | 0.9000 | -915.4013 | 1300.718 |
2 | 0.9100 | -915.4342 | 1214.443 |
3 | 0.9201 | -915.4651 | 1133.294 |
4 | 0.9301 | -915.4941 | 1056.990 |
5 | 0.9401 | -915.5214 | 985.266 |
6 | 0.9501 | -915.5471 | 917.886 |
7 | 0.9602 | -915.5712 | 854.571 |
8 | 0.9702 | -915.5939 | 795.148 |
9 | 0.9802 | -915.6151 | 739.351 |
10 | 0.9902 | -915.6350 | 687.033 |
11 | 1.0003 | -915.6537 | 637.949 |
12 | 1.0103 | -915.6712 | 591.973 |
13 | 1.0203 | -915.6877 | 548.878 |
14 | 1.0303 | -915.7030 | 508.562 |
15 | 1.0404 | -915.7174 | 470.846 |
16 | 1.0504 | -915.7308 | 435.527 |
17 | 1.0604 | -915.7434 | 402.571 |
18 | 1.0704 | -915.7551 | 371.806 |
19 | 1.0805 | -915.7660 | 343.103 |
20 | 1.0905 | -915.7763 | 316.219 |
21 | 1.1005 | -915.7858 | 291.273 |
22 | 1.1105 | -915.7946 | 268.079 |
23 | 1.1206 | -915.8028 | 246.520 |
24 | 1.1306 | -915.8105 | 226.233 |
25 | 1.1406 | -915.8176 | 207.585 |
26 | 1.1506 | -915.8242 | 190.327 |
27 | 1.1607 | -915.8303 | 174.368 |
28 | 1.1707 | -915.8359 | 159.624 |
29 | 1.1807 | -915.8419 | 143.920 |
30 | 1.1907 | -915.8578 | 102.177 |
31 | 1.2008 | -915.8623 | 90.320 |
32 | 1.2108 | -915.8665 | 79.431 |
33 | 1.2208 | -915.8703 | 69.476 |
34 | 1.2308 | -915.8737 | 60.392 |
35 | 1.2409 | -915.8769 | 52.135 |
36 | 1.2509 | -915.8797 | 44.654 |
37 | 1.2609 | -915.8823 | 37.907 |
38 | 1.2709 | -915.8846 | 31.849 |
39 | 1.2810 | -915.8866 | 26.442 |
40 | 1.2910 | -915.8885 | 21.660 |
41 | 1.3010 | -915.8901 | 17.426 |
42 | 1.3110 | -915.8915 | 13.743 |
43 | 1.3211 | -915.8927 | 10.564 |
44 | 1.3311 | -915.8937 | 7.864 |
45 | 1.3411 | -915.8946 | 5.622 |
46 | 1.3511 | -915.8953 | 3.776 |
47 | 1.3612 | -915.8958 | 2.331 |
48 | 1.3712 | -915.8962 | 1.251 |
49 | 1.3812 | -915.8965 | 0.516 |
50 | 1.3912 | -915.8967 | 0.111 |
51 | 1.4013 | -915.8967 | 0.000 |
52 | 1.4113 | -915.8967 | 0.147 |
53 | 1.4213 | -915.8965 | 0.565 |
54 | 1.4313 | -915.8962 | 1.235 |
55 | 1.4414 | -915.8959 | 2.122 |
56 | 1.4514 | -915.8955 | 3.198 |
57 | 1.4614 | -915.8950 | 4.478 |
58 | 1.4714 | -915.8945 | 5.943 |
59 | 1.4815 | -915.8938 | 7.563 |
60 | 1.4915 | -915.8932 | 9.320 |
61 | 1.5015 | -915.8924 | 11.232 |
62 | 1.5115 | -915.8917 | 13.259 |
63 | 1.5216 | -915.8909 | 15.393 |
64 | 1.5316 | -915.8900 | 17.645 |
65 | 1.5416 | -915.8891 | 19.984 |
66 | 1.5516 | -915.8882 | 22.397 |
67 | 1.5617 | -915.8872 | 24.901 |
68 | 1.5717 | -915.8863 | 27.462 |
69 | 1.5817 | -915.8853 | 30.077 |
70 | 1.5917 | -915.8842 | 32.757 |
71 | 1.6018 | -915.8832 | 35.474 |
72 | 1.6118 | -915.8822 | 38.236 |
73 | 1.6218 | -915.8811 | 41.020 |
74 | 1.6318 | -915.8800 | 43.838 |
75 | 1.6419 | -915.8789 | 46.668 |
76 | 1.6519 | -915.8779 | 49.521 |
77 | 1.6619 | -915.8768 | 52.377 |
78 | 1.6719 | -915.8757 | 55.248 |
79 | 1.6820 | -915.8746 | 58.112 |
80 | 1.6920 | -915.8735 | 60.985 |
81 | 1.7020 | -915.8724 | 63.842 |
82 | 1.7120 | -915.8713 | 66.701 |
83 | 1.7221 | -915.8702 | 69.537 |
84 | 1.7321 | -915.8691 | 72.372 |
85 | 1.7421 | -915.8681 | 75.175 |
86 | 1.7521 | -915.8670 | 77.928 |
87 | 1.7622 | -915.8660 | 80.702 |
88 | 1.7722 | -915.8649 | 83.447 |
89 | 1.7822 | -915.8639 | 86.175 |
90 | 1.7922 | -915.8629 | 88.861 |
91 | 1.8023 | -915.8619 | 91.531 |
92 | 1.8123 | -915.8609 | 94.111 |
93 | 1.8223 | -915.8599 | 96.706 |
94 | 1.8323 | -915.8589 | 99.271 |
95 | 1.8424 | -915.8579 | 101.801 |
96 | 1.8524 | -915.8570 | 104.293 |
97 | 1.8624 | -915.8561 | 106.745 |
98 | 1.8724 | -915.8552 | 109.067 |
99 | 1.8825 | -915.8543 | 111.422 |
100 | 1.8925 | -915.8534 | 113.747 |
101 | 1.9025 | -915.8525 | 116.031 |
102 | 1.9125 | -915.8517 | 118.177 |
103 | 1.9226 | -915.8509 | 120.344 |
104 | 1.9326 | -915.8501 | 122.479 |
105 | 1.9426 | -915.8493 | 124.481 |
106 | 1.9526 | -915.8485 | 126.488 |
107 | 1.9627 | -915.8478 | 128.460 |
108 | 1.9727 | -915.8471 | 130.274 |
109 | 1.9827 | -915.8464 | 132.097 |
110 | 1.9927 | -915.8457 | 133.884 |
111 | 2.0028 | -915.8451 | 135.429 |
112 | 2.0128 | -915.8445 | 137.008 |
113 | 2.0228 | -915.8439 | 138.550 |
114 | 2.0328 | -915.8435 | 139.820 |
115 | 2.0429 | -915.8430 | 141.104 |
116 | 2.0529 | -915.8425 | 142.347 |
117 | 2.0629 | -915.8422 | 143.140 |
118 | 2.0729 | -915.8419 | 144.016 |
119 | 2.0830 | -915.8415 | 144.838 |
120 | 2.0930 | -915.8414 | 145.227 |
121 | 2.1030 | -915.8412 | 145.732 |
122 | 2.1130 | -915.8410 | 146.192 |
123 | 2.1231 | -915.8410 | 146.325 |
124 | 2.1331 | -915.8409 | 146.554 |
125 | 2.1431 | -915.8408 | 146.726 |
126 | 2.1531 | -915.8408 | 146.852 |
127 | 2.1632 | -915.8408 | 146.845 |
128 | 2.1732 | -915.8408 | 146.879 |
129 | 2.1832 | -915.8408 | 146.900 |
130 | 2.1932 | -915.8408 | 146.903 |
131 | 2.2033 | -915.8408 | 146.885 |
132 | 2.2133 | -915.8408 | 146.845 |
133 | 2.2233 | -915.8408 | 146.784 |
134 | 2.2333 | -915.8408 | 146.704 |
135 | 2.2434 | -915.8409 | 146.605 |
136 | 2.2534 | -915.8409 | 146.490 |
137 | 2.2634 | -915.8410 | 146.360 |
138 | 2.2734 | -915.8410 | 146.217 |
139 | 2.2835 | -915.8412 | 145.682 |
140 | 2.2935 | -915.8413 | 145.494 |
141 | 2.3035 | -915.8414 | 145.310 |
142 | 2.3135 | -915.8414 | 145.127 |
143 | 2.3236 | -915.8415 | 144.945 |
144 | 2.3336 | -915.8416 | 144.761 |
145 | 2.3436 | -915.8416 | 144.578 |
146 | 2.3536 | -915.8417 | 144.398 |
147 | 2.3637 | -915.8418 | 144.219 |
148 | 2.3737 | -915.8419 | 144.039 |
149 | 2.3837 | -915.8419 | 143.858 |
150 | 2.3937 | -915.8420 | 143.676 |
151 | 2.4038 | -915.8421 | 143.493 |
152 | 2.4138 | -915.8421 | 143.310 |
153 | 2.4238 | -915.8422 | 143.126 |
154 | 2.4338 | -915.8423 | 142.941 |
155 | 2.4439 | -915.8423 | 142.755 |
156 | 2.4539 | -915.8424 | 142.570 |
157 | 2.4639 | -915.8425 | 142.383 |
158 | 2.4739 | -915.8426 | 142.196 |
159 | 2.4840 | -915.8426 | 142.009 |
160 | 2.4940 | -915.8427 | 141.822 |
161 | 2.5040 | -915.8428 | 141.634 |
162 | 2.5140 | -915.8428 | 141.447 |
163 | 2.5241 | -915.8444 | 137.433 |
164 | 2.5341 | -915.8445 | 137.119 |
165 | 2.5441 | -915.8446 | 136.819 |
166 | 2.5541 | -915.8447 | 136.530 |
167 | 2.5642 | -915.8448 | 136.249 |
168 | 2.5742 | -915.8449 | 135.975 |
169 | 2.5842 | -915.8450 | 135.709 |
170 | 2.5942 | -915.8451 | 135.451 |
171 | 2.6043 | -915.8452 | 135.199 |
172 | 2.6143 | -915.8453 | 134.954 |
173 | 2.6243 | -915.8454 | 134.716 |
174 | 2.6343 | -915.8455 | 134.485 |
175 | 2.6444 | -915.8456 | 134.260 |
176 | 2.6544 | -915.8457 | 134.041 |
177 | 2.6644 | -915.8457 | 133.828 |
178 | 2.6744 | -915.8458 | 133.622 |
179 | 2.6845 | -915.8459 | 133.421 |
180 | 2.6945 | -915.8460 | 133.226 |
181 | 2.7045 | -915.8460 | 133.037 |
182 | 2.7145 | -915.8461 | 132.853 |
183 | 2.7246 | -915.8462 | 132.675 |
184 | 2.7346 | -915.8462 | 132.502 |
185 | 2.7446 | -915.8463 | 132.335 |
186 | 2.7546 | -915.8464 | 132.173 |
187 | 2.7647 | -915.8464 | 132.016 |
188 | 2.7747 | -915.8465 | 131.864 |
189 | 2.7847 | -915.8465 | 131.717 |
190 | 2.7947 | -915.8466 | 131.575 |
191 | 2.8048 | -915.8467 | 131.438 |
192 | 2.8148 | -915.8467 | 131.305 |
193 | 2.8248 | -915.8468 | 131.177 |
194 | 2.8348 | -915.8468 | 131.053 |
195 | 2.8449 | -915.8468 | 130.933 |
196 | 2.8549 | -915.8469 | 130.818 |
197 | 2.8649 | -915.8469 | 130.706 |
198 | 2.8749 | -915.8470 | 130.599 |
199 | 2.8850 | -915.8470 | 130.495 |
200 | 2.8950 | -915.8470 | 130.395 |
201 | 2.9050 | -915.8471 | 130.298 |
202 | 2.9150 | -915.8471 | 130.205 |
203 | 2.9251 | -915.8472 | 130.116 |
204 | 2.9351 | -915.8472 | 130.029 |
205 | 2.9451 | -915.8472 | 129.945 |
206 | 2.9551 | -915.8473 | 129.865 |
207 | 2.9652 | -915.8473 | 129.788 |
208 | 2.9752 | -915.8473 | 129.713 |
209 | 2.9852 | -915.8473 | 129.642 |
210 | 2.9952 | -915.8474 | 129.573 |
211 | 3.0053 | -915.8474 | 129.506 |
212 | 3.0153 | -915.8474 | 129.443 |
213 | 3.0253 | -915.8474 | 129.382 |
214 | 3.0353 | -915.8475 | 129.323 |
215 | 3.0454 | -915.8475 | 129.267 |
216 | 3.0554 | -915.8475 | 129.190 |
217 | 3.0654 | -915.8475 | 129.128 |
218 | 3.0754 | -915.8476 | 129.073 |
219 | 3.0855 | -915.8476 | 129.024 |
220 | 3.0955 | -915.8476 | 128.977 |
221 | 3.1055 | -915.8476 | 128.934 |
222 | 3.1155 | -915.8476 | 128.893 |
223 | 3.1256 | -915.8476 | 128.854 |
224 | 3.1356 | -915.8477 | 128.817 |
225 | 3.1456 | -915.8477 | 128.783 |
226 | 3.1556 | -915.8477 | 128.750 |
227 | 3.1657 | -915.8477 | 128.720 |
228 | 3.1757 | -915.8477 | 128.691 |
229 | 3.1857 | -915.8477 | 128.663 |
230 | 3.1957 | -915.8477 | 128.638 |
231 | 3.2058 | -915.8477 | 128.616 |
232 | 3.2158 | -915.8477 | 128.596 |
233 | 3.2258 | -915.8477 | 128.576 |
234 | 3.2358 | -915.8477 | 128.557 |
235 | 3.2459 | -915.8478 | 128.539 |
236 | 3.2559 | -915.8478 | 128.522 |
237 | 3.2659 | -915.8478 | 128.506 |
238 | 3.2759 | -915.8478 | 128.491 |
239 | 3.2860 | -915.8478 | 128.477 |
240 | 3.2960 | -915.8478 | 128.464 |
241 | 3.3060 | -915.8478 | 128.452 |
242 | 3.3160 | -915.8478 | 128.441 |
243 | 3.3261 | -915.8478 | 128.430 |
244 | 3.3361 | -915.8478 | 128.421 |
245 | 3.3461 | -915.8478 | 128.412 |
246 | 3.3561 | -915.8478 | 128.404 |
247 | 3.3662 | -915.8478 | 128.396 |
248 | 3.3762 | -915.8478 | 128.390 |
249 | 3.3862 | -915.8478 | 128.384 |
250 | 3.3962 | -915.8478 | 128.378 |
251 | 3.4063 | -915.8478 | 128.373 |
252 | 3.4163 | -915.8478 | 128.369 |
253 | 3.4263 | -915.8478 | 128.366 |
254 | 3.4363 | -915.8478 | 128.363 |
255 | 3.4464 | -915.8478 | 128.361 |
256 | 3.4564 | -915.8478 | 128.360 |
257 | 3.4664 | -915.8478 | 128.359 |
258 | 3.4764 | -915.8478 | 128.358 |
259 | 3.4865 | -915.8478 | 128.350 |
260 | 3.4965 | -915.8478 | 128.345 |
261 | 3.5065 | -915.8478 | 128.342 |
262 | 3.5165 | -915.8478 | 128.338 |
263 | 3.5266 | -915.8478 | 128.336 |
264 | 3.5366 | -915.8478 | 128.335 |
265 | 3.5466 | -915.8478 | 128.339 |
266 | 3.5566 | -915.8478 | 128.343 |
267 | 3.5667 | -915.8478 | 128.347 |
268 | 3.5767 | -915.8478 | 128.351 |
269 | 3.5867 | -915.8478 | 128.355 |
270 | 3.5967 | -915.8478 | 128.359 |
271 | 3.6068 | -915.8478 | 128.363 |
272 | 3.6168 | -915.8478 | 128.367 |
273 | 3.6268 | -915.8478 | 128.371 |
274 | 3.6368 | -915.8478 | 128.374 |
275 | 3.6469 | -915.8478 | 128.378 |
276 | 3.6569 | -915.8478 | 128.381 |
277 | 3.6669 | -915.8478 | 128.385 |
278 | 3.6769 | -915.8478 | 128.388 |
279 | 3.6870 | -915.8478 | 128.391 |
280 | 3.6970 | -915.8478 | 128.395 |
281 | 3.7070 | -915.8478 | 128.398 |
282 | 3.7170 | -915.8478 | 128.401 |
283 | 3.7271 | -915.8478 | 128.404 |
284 | 3.7371 | -915.8478 | 128.408 |
285 | 3.7471 | -915.8478 | 128.411 |
286 | 3.7571 | -915.8478 | 128.414 |
287 | 3.7672 | -915.8478 | 128.418 |
288 | 3.7772 | -915.8478 | 128.421 |
289 | 3.7872 | -915.8478 | 128.425 |
290 | 3.7972 | -915.8478 | 128.428 |
291 | 3.8073 | -915.8478 | 128.432 |
292 | 3.8173 | -915.8478 | 128.435 |
293 | 3.8273 | -915.8478 | 128.439 |
294 | 3.8373 | -915.8478 | 128.443 |
295 | 3.8474 | -915.8478 | 128.446 |
296 | 3.8574 | -915.8478 | 128.450 |
297 | 3.8674 | -915.8478 | 128.454 |
298 | 3.8774 | -915.8478 | 128.457 |
299 | 3.8875 | -915.8478 | 128.461 |
300 | 3.8975 | -915.8478 | 128.465 |
301 | 3.9075 | -915.8478 | 128.469 |
302 | 3.9175 | -915.8478 | 128.473 |
303 | 3.9276 | -915.8478 | 128.478 |
304 | 3.9376 | -915.8478 | 128.482 |
305 | 3.9476 | -915.8478 | 128.486 |
306 | 3.9576 | -915.8478 | 128.489 |
307 | 3.9677 | -915.8478 | 128.493 |
308 | 3.9777 | -915.8478 | 128.497 |
309 | 3.9877 | -915.8478 | 128.501 |
310 | 3.9977 | -915.8478 | 128.504 |
311 | 4.0078 | -915.8478 | 128.508 |
312 | 4.0178 | -915.8478 | 128.511 |
313 | 4.0278 | -915.8478 | 128.514 |
314 | 4.0378 | -915.8478 | 128.518 |
315 | 4.0479 | -915.8478 | 128.521 |
316 | 4.0579 | -915.8478 | 128.524 |
317 | 4.0679 | -915.8478 | 128.527 |
318 | 4.0779 | -915.8478 | 128.530 |
319 | 4.0880 | -915.8478 | 128.533 |
320 | 4.0980 | -915.8478 | 128.536 |
321 | 4.1080 | -915.8478 | 128.540 |
322 | 4.1180 | -915.8478 | 128.543 |
323 | 4.1281 | -915.8478 | 128.546 |
324 | 4.1381 | -915.8478 | 128.549 |
325 | 4.1481 | -915.8478 | 128.552 |
326 | 4.1581 | -915.8478 | 128.555 |
327 | 4.1682 | -915.8477 | 128.558 |
328 | 4.1782 | -915.8477 | 128.561 |
329 | 4.1882 | -915.8477 | 128.564 |
330 | 4.1982 | -915.8477 | 128.567 |
331 | 4.2083 | -915.8477 | 128.570 |
332 | 4.2183 | -915.8477 | 128.572 |
333 | 4.2283 | -915.8477 | 128.575 |
334 | 4.2383 | -915.8477 | 128.578 |
335 | 4.2484 | -915.8477 | 128.581 |
336 | 4.2584 | -915.8477 | 128.584 |
337 | 4.2684 | -915.8477 | 128.587 |
338 | 4.2784 | -915.8477 | 128.590 |
339 | 4.2885 | -915.8477 | 128.592 |
340 | 4.2985 | -915.8477 | 128.595 |
341 | 4.3085 | -915.8477 | 128.598 |
342 | 4.3185 | -915.8477 | 128.600 |
343 | 4.3286 | -915.8477 | 128.603 |
344 | 4.3386 | -915.8477 | 128.606 |
345 | 4.3486 | -915.8477 | 128.608 |
346 | 4.3586 | -915.8477 | 128.611 |
347 | 4.3687 | -915.8477 | 128.613 |
348 | 4.3787 | -915.8477 | 128.616 |
349 | 4.3887 | -915.8477 | 128.618 |
350 | 4.3987 | -915.8477 | 128.621 |
351 | 4.4088 | -915.8477 | 128.624 |
352 | 4.4188 | -915.8477 | 128.626 |
353 | 4.4288 | -915.8477 | 128.629 |
354 | 4.4388 | -915.8477 | 128.632 |
355 | 4.4489 | -915.8477 | 128.634 |
356 | 4.4589 | -915.8477 | 128.637 |
357 | 4.4689 | -915.8477 | 128.640 |
358 | 4.4789 | -915.8477 | 128.642 |
359 | 4.4890 | -915.8477 | 128.645 |
360 | 4.4990 | -915.8477 | 128.646 |
361 | 4.5090 | -915.8477 | 128.646 |
362 | 4.5190 | -915.8477 | 128.648 |
363 | 4.5291 | -915.8477 | 128.649 |
364 | 4.5391 | -915.8477 | 128.650 |
365 | 4.5491 | -915.8477 | 128.652 |
366 | 4.5591 | -915.8477 | 128.653 |
367 | 4.5692 | -915.8477 | 128.655 |
368 | 4.5792 | -915.8477 | 128.657 |
369 | 4.5892 | -915.8477 | 128.659 |
370 | 4.5992 | -915.8477 | 128.660 |
371 | 4.6093 | -915.8477 | 128.662 |
372 | 4.6193 | -915.8477 | 128.664 |
373 | 4.6293 | -915.8477 | 128.666 |
374 | 4.6393 | -915.8477 | 128.668 |
375 | 4.6494 | -915.8477 | 128.671 |
376 | 4.6594 | -915.8477 | 128.673 |
377 | 4.6694 | -915.8477 | 128.675 |
378 | 4.6794 | -915.8477 | 128.677 |
379 | 4.6895 | -915.8477 | 128.679 |
380 | 4.6995 | -915.8477 | 128.682 |
381 | 4.7095 | -915.8477 | 128.684 |
382 | 4.7195 | -915.8477 | 128.686 |
383 | 4.7296 | -915.8477 | 128.689 |
384 | 4.7396 | -915.8477 | 128.691 |
385 | 4.7496 | -915.8477 | 128.693 |
386 | 4.7596 | -915.8477 | 128.695 |
387 | 4.7697 | -915.8477 | 128.698 |
388 | 4.7797 | -915.8477 | 128.700 |
389 | 4.7897 | -915.8477 | 128.703 |
390 | 4.7997 | -915.8477 | 128.705 |
391 | 4.8098 | -915.8477 | 128.708 |
392 | 4.8198 | -915.8477 | 128.710 |
393 | 4.8298 | -915.8477 | 128.713 |
394 | 4.8398 | -915.8477 | 128.715 |
395 | 4.8499 | -915.8477 | 128.718 |
396 | 4.8599 | -915.8477 | 128.720 |
397 | 4.8699 | -915.8477 | 128.723 |
398 | 4.8799 | -915.8477 | 128.725 |
399 | 4.8900 | -915.8477 | 128.728 |
400 | 4.9000 | -915.8477 | 128.730 |