4-MeOPhN2+ HCOO-
n | d, A | Eh | E, kJ/mol |
43 min | 1.3211 | -644.8240 | 0.000 |
110 max | 1.9927 | -644.7626 | 161.266 |
319 min | 4.0880 | -644.8199 | 10.893 |
n | d, A | Eh | E, kJ/mol |
1 | 0.9000 | -644.3902 | 1139.001 |
2 | 0.9100 | -644.4222 | 1054.865 |
3 | 0.9201 | -644.4523 | 975.890 |
4 | 0.9301 | -644.4805 | 901.800 |
5 | 0.9401 | -644.5070 | 832.348 |
6 | 0.9501 | -644.5318 | 767.234 |
7 | 0.9602 | -644.5550 | 706.284 |
8 | 0.9702 | -644.5768 | 649.204 |
9 | 0.9802 | -644.5971 | 595.827 |
10 | 0.9902 | -644.6161 | 545.936 |
11 | 1.0003 | -644.6338 | 499.379 |
12 | 1.0103 | -644.6504 | 455.877 |
13 | 1.0203 | -644.6658 | 415.360 |
14 | 1.0303 | -644.6802 | 377.606 |
15 | 1.0404 | -644.6936 | 342.503 |
16 | 1.0504 | -644.7060 | 309.858 |
17 | 1.0604 | -644.7175 | 279.581 |
18 | 1.0704 | -644.7282 | 251.500 |
19 | 1.0805 | -644.7381 | 225.529 |
20 | 1.0905 | -644.7472 | 201.601 |
21 | 1.1005 | -644.7557 | 179.379 |
22 | 1.1105 | -644.7635 | 159.008 |
23 | 1.1206 | -644.7706 | 140.299 |
24 | 1.1306 | -644.7771 | 123.135 |
25 | 1.1406 | -644.7831 | 107.470 |
26 | 1.1506 | -644.7885 | 93.200 |
27 | 1.1607 | -644.7935 | 80.224 |
28 | 1.1707 | -644.7979 | 68.506 |
29 | 1.1807 | -644.8019 | 57.956 |
30 | 1.1907 | -644.8056 | 48.484 |
31 | 1.2008 | -644.8088 | 40.065 |
32 | 1.2108 | -644.8116 | 32.634 |
33 | 1.2208 | -644.8141 | 26.065 |
34 | 1.2308 | -644.8163 | 20.389 |
35 | 1.2409 | -644.8181 | 15.520 |
36 | 1.2509 | -644.8197 | 11.380 |
37 | 1.2609 | -644.8210 | 7.972 |
38 | 1.2709 | -644.8220 | 5.231 |
39 | 1.2810 | -644.8228 | 3.090 |
40 | 1.2910 | -644.8234 | 1.546 |
41 | 1.3010 | -644.8238 | 0.529 |
42 | 1.3110 | -644.8240 | 0.029 |
43 | 1.3211 | -644.8240 | 0.000 |
44 | 1.3311 | -644.8239 | 0.386 |
45 | 1.3411 | -644.8236 | 1.194 |
46 | 1.3511 | -644.8231 | 2.388 |
47 | 1.3612 | -644.8225 | 3.885 |
48 | 1.3712 | -644.8218 | 5.729 |
49 | 1.3812 | -644.8210 | 7.868 |
50 | 1.3912 | -644.8201 | 10.245 |
51 | 1.4013 | -644.8191 | 12.889 |
52 | 1.4113 | -644.8180 | 15.764 |
53 | 1.4213 | -644.8169 | 18.803 |
54 | 1.4313 | -644.8156 | 22.039 |
55 | 1.4414 | -644.8143 | 25.434 |
56 | 1.4514 | -644.8130 | 28.981 |
57 | 1.4614 | -644.8116 | 32.663 |
58 | 1.4714 | -644.8102 | 36.406 |
59 | 1.4815 | -644.8087 | 40.262 |
60 | 1.4915 | -644.8072 | 44.207 |
61 | 1.5015 | -644.8057 | 48.200 |
62 | 1.5115 | -644.8041 | 52.255 |
63 | 1.5216 | -644.8026 | 56.329 |
64 | 1.5316 | -644.8010 | 60.431 |
65 | 1.5416 | -644.7994 | 64.559 |
66 | 1.5516 | -644.7979 | 68.700 |
67 | 1.5617 | -644.7963 | 72.778 |
68 | 1.5717 | -644.7947 | 76.867 |
69 | 1.5817 | -644.7932 | 81.000 |
70 | 1.5917 | -644.7917 | 84.946 |
71 | 1.6018 | -644.7901 | 88.938 |
72 | 1.6118 | -644.7886 | 92.879 |
73 | 1.6218 | -644.7872 | 96.661 |
74 | 1.6318 | -644.7858 | 100.455 |
75 | 1.6419 | -644.7843 | 104.181 |
76 | 1.6519 | -644.7831 | 107.512 |
77 | 1.6619 | -644.7818 | 110.937 |
78 | 1.6719 | -644.7805 | 114.273 |
79 | 1.6820 | -644.7793 | 117.318 |
80 | 1.6920 | -644.7782 | 120.383 |
81 | 1.7020 | -644.7776 | 121.954 |
82 | 1.7120 | -644.7766 | 124.629 |
83 | 1.7221 | -644.7756 | 127.184 |
84 | 1.7321 | -644.7746 | 129.655 |
85 | 1.7421 | -644.7738 | 131.982 |
86 | 1.7521 | -644.7729 | 134.243 |
87 | 1.7622 | -644.7721 | 136.367 |
88 | 1.7722 | -644.7713 | 138.423 |
89 | 1.7822 | -644.7706 | 140.365 |
90 | 1.7922 | -644.7699 | 142.216 |
91 | 1.8023 | -644.7692 | 143.979 |
92 | 1.8123 | -644.7685 | 145.666 |
93 | 1.8223 | -644.7679 | 147.278 |
94 | 1.8323 | -644.7674 | 148.736 |
95 | 1.8424 | -644.7668 | 150.160 |
96 | 1.8524 | -644.7663 | 151.511 |
97 | 1.8624 | -644.7659 | 152.715 |
98 | 1.8724 | -644.7654 | 153.896 |
99 | 1.8825 | -644.7650 | 154.928 |
100 | 1.8925 | -644.7646 | 155.946 |
101 | 1.9025 | -644.7643 | 156.878 |
102 | 1.9125 | -644.7639 | 157.752 |
103 | 1.9226 | -644.7636 | 158.561 |
104 | 1.9326 | -644.7633 | 159.299 |
105 | 1.9426 | -644.7631 | 159.974 |
106 | 1.9526 | -644.7630 | 160.167 |
107 | 1.9627 | -644.7629 | 160.539 |
108 | 1.9727 | -644.7628 | 160.819 |
109 | 1.9827 | -644.7627 | 161.072 |
110 | 1.9927 | -644.7626 | 161.266 |
111 | 2.0028 | -644.7676 | 148.195 |
112 | 2.0128 | -644.7871 | 97.018 |
113 | 2.0228 | -644.7878 | 95.013 |
114 | 2.0328 | -644.7886 | 93.063 |
115 | 2.0429 | -644.7893 | 91.156 |
116 | 2.0529 | -644.7900 | 89.249 |
117 | 2.0629 | -644.7907 | 87.389 |
118 | 2.0729 | -644.7914 | 85.559 |
119 | 2.0830 | -644.7921 | 83.761 |
120 | 2.0930 | -644.7928 | 81.984 |
121 | 2.1030 | -644.7935 | 80.244 |
122 | 2.1130 | -644.7941 | 78.535 |
123 | 2.1231 | -644.7947 | 76.872 |
124 | 2.1331 | -644.7954 | 75.204 |
125 | 2.1431 | -644.7960 | 73.585 |
126 | 2.1531 | -644.7966 | 71.997 |
127 | 2.1632 | -644.7972 | 70.443 |
128 | 2.1732 | -644.7978 | 68.908 |
129 | 2.1832 | -644.7983 | 67.410 |
130 | 2.1932 | -644.7989 | 65.943 |
131 | 2.2033 | -644.7995 | 64.514 |
132 | 2.2133 | -644.8000 | 63.092 |
133 | 2.2233 | -644.8005 | 61.712 |
134 | 2.2333 | -644.8010 | 60.361 |
135 | 2.2434 | -644.8015 | 59.038 |
136 | 2.2534 | -644.8020 | 57.744 |
137 | 2.2634 | -644.8025 | 56.488 |
138 | 2.2734 | -644.8030 | 55.236 |
139 | 2.2835 | -644.8034 | 54.025 |
140 | 2.2935 | -644.8039 | 52.841 |
141 | 2.3035 | -644.8043 | 51.684 |
142 | 2.3135 | -644.8048 | 50.582 |
143 | 2.3236 | -644.8052 | 49.445 |
144 | 2.3336 | -644.8056 | 48.365 |
145 | 2.3436 | -644.8060 | 47.311 |
146 | 2.3536 | -644.8064 | 46.346 |
147 | 2.3637 | -644.8068 | 45.277 |
148 | 2.3737 | -644.8072 | 44.299 |
149 | 2.3837 | -644.8075 | 43.364 |
150 | 2.3937 | -644.8079 | 42.412 |
151 | 2.4038 | -644.8082 | 41.504 |
152 | 2.4138 | -644.8086 | 40.612 |
153 | 2.4238 | -644.8089 | 39.750 |
154 | 2.4338 | -644.8092 | 38.901 |
155 | 2.4439 | -644.8095 | 38.103 |
156 | 2.4539 | -644.8098 | 37.279 |
157 | 2.4639 | -644.8101 | 36.501 |
158 | 2.4739 | -644.8104 | 35.736 |
159 | 2.4840 | -644.8107 | 34.997 |
160 | 2.4940 | -644.8110 | 34.273 |
161 | 2.5040 | -644.8112 | 33.573 |
162 | 2.5140 | -644.8115 | 32.979 |
163 | 2.5241 | -644.8117 | 32.225 |
164 | 2.5341 | -644.8120 | 31.579 |
165 | 2.5441 | -644.8122 | 30.955 |
166 | 2.5541 | -644.8125 | 30.335 |
167 | 2.5642 | -644.8127 | 29.772 |
168 | 2.5742 | -644.8129 | 29.161 |
169 | 2.5842 | -644.8131 | 28.600 |
170 | 2.5942 | -644.8133 | 28.048 |
171 | 2.6043 | -644.8135 | 27.517 |
172 | 2.6143 | -644.8137 | 27.048 |
173 | 2.6243 | -644.8139 | 26.497 |
174 | 2.6343 | -644.8141 | 26.009 |
175 | 2.6444 | -644.8143 | 25.554 |
176 | 2.6544 | -644.8145 | 25.072 |
177 | 2.6644 | -644.8146 | 24.627 |
178 | 2.6744 | -644.8148 | 24.185 |
179 | 2.6845 | -644.8150 | 23.790 |
180 | 2.6945 | -644.8151 | 23.353 |
181 | 2.7045 | -644.8153 | 22.957 |
182 | 2.7145 | -644.8154 | 22.565 |
183 | 2.7246 | -644.8156 | 22.200 |
184 | 2.7346 | -644.8157 | 21.828 |
185 | 2.7446 | -644.8158 | 21.518 |
186 | 2.7546 | -644.8160 | 21.131 |
187 | 2.7647 | -644.8161 | 20.799 |
188 | 2.7747 | -644.8162 | 20.509 |
189 | 2.7847 | -644.8163 | 20.164 |
190 | 2.7947 | -644.8165 | 19.862 |
191 | 2.8048 | -644.8166 | 19.563 |
192 | 2.8148 | -644.8167 | 19.280 |
193 | 2.8248 | -644.8168 | 18.999 |
194 | 2.8348 | -644.8169 | 18.732 |
195 | 2.8449 | -644.8170 | 18.468 |
196 | 2.8549 | -644.8171 | 18.219 |
197 | 2.8649 | -644.8172 | 17.970 |
198 | 2.8749 | -644.8173 | 17.735 |
199 | 2.8850 | -644.8174 | 17.502 |
200 | 2.8950 | -644.8174 | 17.282 |
201 | 2.9050 | -644.8175 | 17.063 |
202 | 2.9150 | -644.8176 | 16.856 |
203 | 2.9251 | -644.8177 | 16.663 |
204 | 2.9351 | -644.8178 | 16.453 |
205 | 2.9451 | -644.8178 | 16.277 |
206 | 2.9551 | -644.8179 | 16.081 |
207 | 2.9652 | -644.8179 | 15.965 |
208 | 2.9752 | -644.8180 | 15.729 |
209 | 2.9852 | -644.8181 | 15.564 |
210 | 2.9952 | -644.8182 | 15.393 |
211 | 3.0053 | -644.8182 | 15.239 |
212 | 3.0153 | -644.8183 | 15.081 |
213 | 3.0253 | -644.8183 | 14.939 |
214 | 3.0353 | -644.8184 | 14.790 |
215 | 3.0454 | -644.8184 | 14.658 |
216 | 3.0554 | -644.8185 | 14.518 |
217 | 3.0654 | -644.8185 | 14.413 |
218 | 3.0754 | -644.8186 | 14.268 |
219 | 3.0855 | -644.8186 | 14.161 |
220 | 3.0955 | -644.8187 | 14.034 |
221 | 3.1055 | -644.8187 | 13.997 |
222 | 3.1155 | -644.8188 | 13.813 |
223 | 3.1256 | -644.8188 | 13.711 |
224 | 3.1356 | -644.8188 | 13.600 |
225 | 3.1456 | -644.8189 | 13.505 |
226 | 3.1556 | -644.8189 | 13.404 |
227 | 3.1657 | -644.8190 | 13.317 |
228 | 3.1757 | -644.8190 | 13.221 |
229 | 3.1857 | -644.8190 | 13.143 |
230 | 3.1957 | -644.8191 | 13.050 |
231 | 3.2058 | -644.8191 | 12.987 |
232 | 3.2158 | -644.8191 | 12.894 |
233 | 3.2258 | -644.8191 | 12.831 |
234 | 3.2358 | -644.8192 | 12.747 |
235 | 3.2459 | -644.8192 | 12.712 |
236 | 3.2559 | -644.8192 | 12.610 |
237 | 3.2659 | -644.8192 | 12.547 |
238 | 3.2759 | -644.8193 | 12.475 |
239 | 3.2860 | -644.8193 | 12.427 |
240 | 3.2960 | -644.8193 | 12.357 |
241 | 3.3060 | -644.8193 | 12.322 |
242 | 3.3160 | -644.8194 | 12.246 |
243 | 3.3261 | -644.8194 | 12.197 |
244 | 3.3361 | -644.8194 | 12.135 |
245 | 3.3461 | -644.8194 | 12.113 |
246 | 3.3561 | -644.8194 | 12.041 |
247 | 3.3662 | -644.8195 | 12.001 |
248 | 3.3762 | -644.8195 | 11.951 |
249 | 3.3862 | -644.8195 | 11.903 |
250 | 3.3962 | -644.8195 | 11.866 |
251 | 3.4063 | -644.8195 | 11.819 |
252 | 3.4163 | -644.8195 | 11.790 |
253 | 3.4263 | -644.8195 | 11.747 |
254 | 3.4363 | -644.8195 | 11.794 |
255 | 3.4464 | -644.8196 | 11.679 |
256 | 3.4564 | -644.8196 | 11.648 |
257 | 3.4664 | -644.8196 | 11.607 |
258 | 3.4764 | -644.8196 | 11.581 |
259 | 3.4865 | -644.8196 | 11.544 |
260 | 3.4965 | -644.8196 | 11.532 |
261 | 3.5065 | -644.8196 | 11.491 |
262 | 3.5165 | -644.8197 | 11.473 |
263 | 3.5266 | -644.8197 | 11.439 |
264 | 3.5366 | -644.8197 | 11.460 |
265 | 3.5466 | -644.8197 | 11.392 |
266 | 3.5566 | -644.8197 | 11.372 |
267 | 3.5667 | -644.8197 | 11.341 |
268 | 3.5767 | -644.8197 | 11.331 |
269 | 3.5867 | -644.8197 | 11.301 |
270 | 3.5967 | -644.8197 | 11.304 |
271 | 3.6068 | -644.8197 | 11.264 |
272 | 3.6168 | -644.8197 | 11.249 |
273 | 3.6268 | -644.8197 | 11.227 |
274 | 3.6368 | -644.8198 | 11.205 |
275 | 3.6469 | -644.8198 | 11.197 |
276 | 3.6569 | -644.8198 | 11.176 |
277 | 3.6669 | -644.8197 | 11.222 |
278 | 3.6769 | -644.8198 | 11.149 |
279 | 3.6870 | -644.8198 | 11.137 |
280 | 3.6970 | -644.8198 | 11.116 |
281 | 3.7070 | -644.8198 | 11.111 |
282 | 3.7170 | -644.8198 | 11.095 |
283 | 3.7271 | -644.8198 | 11.171 |
284 | 3.7371 | -644.8198 | 11.074 |
285 | 3.7471 | -644.8198 | 11.064 |
286 | 3.7571 | -644.8198 | 11.078 |
287 | 3.7672 | -644.8198 | 11.044 |
288 | 3.7772 | -644.8198 | 11.037 |
289 | 3.7872 | -644.8198 | 11.059 |
290 | 3.7972 | -644.8198 | 11.024 |
291 | 3.8073 | -644.8198 | 11.029 |
292 | 3.8173 | -644.8198 | 11.004 |
293 | 3.8273 | -644.8198 | 11.005 |
294 | 3.8373 | -644.8198 | 10.988 |
295 | 3.8474 | -644.8198 | 11.001 |
296 | 3.8574 | -644.8198 | 10.975 |
297 | 3.8674 | -644.8198 | 10.981 |
298 | 3.8774 | -644.8198 | 10.989 |
299 | 3.8875 | -644.8199 | 10.956 |
300 | 3.8975 | -644.8198 | 10.962 |
301 | 3.9075 | -644.8198 | 10.973 |
302 | 3.9175 | -644.8199 | 10.939 |
303 | 3.9276 | -644.8199 | 10.947 |
304 | 3.9376 | -644.8198 | 10.967 |
305 | 3.9476 | -644.8199 | 10.935 |
306 | 3.9576 | -644.8199 | 10.944 |
307 | 3.9677 | -644.8198 | 10.971 |
308 | 3.9777 | -644.8199 | 10.929 |
309 | 3.9877 | -644.8199 | 10.939 |
310 | 3.9977 | -644.8198 | 10.962 |
311 | 4.0078 | -644.8199 | 10.921 |
312 | 4.0178 | -644.8199 | 10.932 |
313 | 4.0278 | -644.8198 | 10.967 |
314 | 4.0378 | -644.8199 | 10.917 |
315 | 4.0479 | -644.8199 | 10.928 |
316 | 4.0579 | -644.8199 | 10.950 |
317 | 4.0679 | -644.8199 | 10.910 |
318 | 4.0779 | -644.8199 | 10.923 |
319 | 4.0880 | -644.8199 | 10.893 |
320 | 4.0980 | -644.8199 | 10.904 |
321 | 4.1080 | -644.8199 | 10.924 |
322 | 4.1180 | -644.8199 | 10.899 |
323 | 4.1281 | -644.8199 | 10.913 |
324 | 4.1381 | -644.8199 | 10.897 |
325 | 4.1481 | -644.8199 | 10.911 |
326 | 4.1581 | -644.8199 | 10.896 |
327 | 4.1682 | -644.8199 | 10.915 |
328 | 4.1782 | -644.8199 | 10.897 |
329 | 4.1882 | -644.8199 | 10.912 |
330 | 4.1982 | -644.8199 | 10.898 |
331 | 4.2083 | -644.8199 | 10.915 |
332 | 4.2183 | -644.8199 | 10.901 |
333 | 4.2283 | -644.8199 | 10.921 |
334 | 4.2383 | -644.8199 | 10.904 |
335 | 4.2484 | -644.8199 | 10.923 |
336 | 4.2584 | -644.8199 | 10.906 |
337 | 4.2684 | -644.8199 | 10.926 |
338 | 4.2784 | -644.8199 | 10.909 |
339 | 4.2885 | -644.8199 | 10.927 |
340 | 4.2985 | -644.8199 | 10.911 |
341 | 4.3085 | -644.8199 | 10.931 |
342 | 4.3185 | -644.8199 | 10.913 |
343 | 4.3286 | -644.8199 | 10.932 |
344 | 4.3386 | -644.8199 | 10.915 |
345 | 4.3486 | -644.8199 | 10.936 |
346 | 4.3586 | -644.8199 | 10.918 |
347 | 4.3687 | -644.8199 | 10.936 |
348 | 4.3787 | -644.8199 | 10.921 |
349 | 4.3887 | -644.8199 | 10.942 |
350 | 4.3987 | -644.8199 | 10.924 |
351 | 4.4088 | -644.8199 | 10.943 |
352 | 4.4188 | -644.8199 | 10.928 |
353 | 4.4288 | -644.8199 | 10.950 |
354 | 4.4388 | -644.8199 | 10.933 |
355 | 4.4489 | -644.8198 | 11.034 |
356 | 4.4589 | -644.8199 | 10.931 |
357 | 4.4689 | -644.8199 | 10.935 |
358 | 4.4789 | -644.8199 | 10.929 |
359 | 4.4890 | -644.8199 | 10.941 |
360 | 4.4990 | -644.8199 | 10.937 |
361 | 4.5090 | -644.8198 | 10.967 |
362 | 4.5190 | -644.8199 | 10.945 |
363 | 4.5291 | -644.8199 | 10.950 |
364 | 4.5391 | -644.8199 | 10.946 |
365 | 4.5491 | -644.8198 | 10.958 |
366 | 4.5591 | -644.8199 | 10.956 |
367 | 4.5692 | -644.8198 | 11.013 |
368 | 4.5792 | -644.8198 | 10.965 |
369 | 4.5892 | -644.8198 | 10.971 |
370 | 4.5992 | -644.8198 | 10.968 |
371 | 4.6093 | -644.8198 | 10.978 |
372 | 4.6193 | -644.8198 | 10.974 |
373 | 4.6293 | -644.8198 | 11.000 |
374 | 4.6393 | -644.8198 | 10.985 |
375 | 4.6494 | -644.8198 | 10.993 |
376 | 4.6594 | -644.8198 | 11.005 |
377 | 4.6694 | -644.8198 | 11.010 |
378 | 4.6794 | -644.8198 | 11.015 |
379 | 4.6895 | -644.8198 | 11.017 |
380 | 4.6995 | -644.8198 | 11.023 |
381 | 4.7095 | -644.8198 | 11.025 |
382 | 4.7195 | -644.8198 | 11.031 |
383 | 4.7296 | -644.8198 | 11.033 |
384 | 4.7396 | -644.8198 | 11.039 |
385 | 4.7496 | -644.8198 | 11.041 |
386 | 4.7596 | -644.8198 | 11.026 |
387 | 4.7697 | -644.8198 | 11.048 |
388 | 4.7797 | -644.8198 | 11.037 |
389 | 4.7897 | -644.8198 | 11.067 |
390 | 4.7997 | -644.8198 | 11.045 |
391 | 4.8098 | -644.8198 | 11.055 |
392 | 4.8198 | -644.8198 | 11.045 |
393 | 4.8298 | -644.8198 | 11.076 |
394 | 4.8398 | -644.8198 | 11.055 |
395 | 4.8499 | -644.8198 | 11.067 |
396 | 4.8599 | -644.8198 | 11.057 |
397 | 4.8699 | -644.8198 | 11.091 |
398 | 4.8799 | -644.8198 | 11.067 |
399 | 4.8900 | -644.8198 | 11.078 |
400 | 4.9000 | -644.8198 | 11.069 |