PhN2+ BF4-
n | d, A | Eh | E, kJ/mol |
50 min | 1.3912 | -765.6074 | 160.838 |
143 max | 2.3236 | -765.5604 | 284.204 |
322 min | 4.1180 | -765.6687 | 0.000 |
n | d, A | Eh | E, kJ/mol |
1 | 0.9000 | -765.1278 | 1420.079 |
2 | 0.9100 | -765.1609 | 1333.156 |
3 | 0.9201 | -765.1920 | 1251.483 |
4 | 0.9301 | -765.2213 | 1174.696 |
5 | 0.9401 | -765.2487 | 1102.577 |
6 | 0.9501 | -765.2745 | 1034.843 |
7 | 0.9602 | -765.2987 | 971.279 |
8 | 0.9702 | -765.3215 | 911.559 |
9 | 0.9802 | -765.3428 | 855.592 |
10 | 0.9902 | -765.3628 | 803.159 |
11 | 1.0003 | -765.3815 | 753.990 |
12 | 1.0103 | -765.3990 | 707.957 |
13 | 1.0203 | -765.4154 | 664.905 |
14 | 1.0303 | -765.4308 | 624.617 |
15 | 1.0404 | -765.4451 | 587.014 |
16 | 1.0504 | -765.4585 | 551.828 |
17 | 1.0604 | -765.4710 | 519.039 |
18 | 1.0704 | -765.4827 | 488.399 |
19 | 1.0805 | -765.4935 | 459.931 |
20 | 1.0905 | -765.5036 | 433.305 |
21 | 1.1005 | -765.5147 | 404.277 |
22 | 1.1105 | -765.5235 | 381.176 |
23 | 1.1206 | -765.5316 | 359.777 |
24 | 1.1306 | -765.5392 | 339.936 |
25 | 1.1406 | -765.5462 | 321.608 |
26 | 1.1506 | -765.5526 | 304.662 |
27 | 1.1607 | -765.5586 | 289.066 |
28 | 1.1707 | -765.5641 | 274.692 |
29 | 1.1807 | -765.5691 | 261.521 |
30 | 1.1907 | -765.5737 | 249.430 |
31 | 1.2008 | -765.5779 | 238.410 |
32 | 1.2108 | -765.5817 | 228.339 |
33 | 1.2208 | -765.5852 | 219.225 |
34 | 1.2308 | -765.5883 | 210.941 |
35 | 1.2409 | -765.5912 | 203.508 |
36 | 1.2509 | -765.5937 | 196.801 |
37 | 1.2609 | -765.5960 | 190.852 |
38 | 1.2709 | -765.5980 | 185.531 |
39 | 1.2810 | -765.5998 | 180.886 |
40 | 1.2910 | -765.6013 | 176.783 |
41 | 1.3010 | -765.6027 | 173.278 |
42 | 1.3110 | -765.6038 | 170.239 |
43 | 1.3211 | -765.6048 | 167.730 |
44 | 1.3311 | -765.6056 | 165.617 |
45 | 1.3411 | -765.6062 | 163.970 |
46 | 1.3511 | -765.6067 | 162.658 |
47 | 1.3612 | -765.6071 | 161.756 |
48 | 1.3712 | -765.6073 | 161.134 |
49 | 1.3812 | -765.6074 | 160.870 |
50 | 1.3912 | -765.6074 | 160.838 |
51 | 1.4013 | -765.6073 | 161.117 |
52 | 1.4113 | -765.6071 | 161.585 |
53 | 1.4213 | -765.6069 | 162.320 |
54 | 1.4313 | -765.6065 | 163.199 |
55 | 1.4414 | -765.6061 | 164.316 |
56 | 1.4514 | -765.6056 | 165.545 |
57 | 1.4614 | -765.6051 | 166.975 |
58 | 1.4714 | -765.6045 | 168.489 |
59 | 1.4815 | -765.6039 | 170.173 |
60 | 1.4915 | -765.6032 | 171.915 |
61 | 1.5015 | -765.6025 | 173.733 |
62 | 1.5115 | -765.6018 | 175.693 |
63 | 1.5216 | -765.6010 | 177.696 |
64 | 1.5316 | -765.6002 | 179.748 |
65 | 1.5416 | -765.5994 | 181.891 |
66 | 1.5516 | -765.5986 | 184.020 |
67 | 1.5617 | -765.5977 | 186.243 |
68 | 1.5717 | -765.5969 | 188.461 |
69 | 1.5817 | -765.5960 | 190.738 |
70 | 1.5917 | -765.5952 | 192.994 |
71 | 1.6018 | -765.5943 | 195.297 |
72 | 1.6118 | -765.5934 | 197.566 |
73 | 1.6218 | -765.5926 | 199.871 |
74 | 1.6318 | -765.5917 | 202.135 |
75 | 1.6419 | -765.5908 | 204.423 |
76 | 1.6519 | -765.5900 | 206.664 |
77 | 1.6619 | -765.5891 | 208.922 |
78 | 1.6719 | -765.5883 | 211.127 |
79 | 1.6820 | -765.5874 | 213.340 |
80 | 1.6920 | -765.5866 | 215.490 |
81 | 1.7020 | -765.5858 | 217.650 |
82 | 1.7120 | -765.5850 | 219.746 |
83 | 1.7221 | -765.5842 | 221.847 |
84 | 1.7321 | -765.5834 | 223.880 |
85 | 1.7421 | -765.5826 | 225.915 |
86 | 1.7521 | -765.5819 | 227.880 |
87 | 1.7622 | -765.5811 | 229.845 |
88 | 1.7722 | -765.5804 | 231.737 |
89 | 1.7822 | -765.5797 | 233.580 |
90 | 1.7922 | -765.5790 | 235.429 |
91 | 1.8023 | -765.5783 | 237.214 |
92 | 1.8123 | -765.5777 | 238.947 |
93 | 1.8223 | -765.5770 | 240.679 |
94 | 1.8323 | -765.5764 | 242.331 |
95 | 1.8424 | -765.5758 | 243.985 |
96 | 1.8524 | -765.5752 | 245.557 |
97 | 1.8624 | -765.5746 | 247.130 |
98 | 1.8724 | -765.5740 | 248.673 |
99 | 1.8825 | -765.5746 | 246.950 |
100 | 1.8925 | -765.5741 | 248.378 |
101 | 1.9025 | -765.5735 | 249.815 |
102 | 1.9125 | -765.5730 | 251.200 |
103 | 1.9226 | -765.5725 | 252.571 |
104 | 1.9326 | -765.5720 | 253.914 |
105 | 1.9426 | -765.5715 | 255.224 |
106 | 1.9526 | -765.5710 | 256.500 |
107 | 1.9627 | -765.5705 | 257.741 |
108 | 1.9727 | -765.5701 | 258.950 |
109 | 1.9827 | -765.5696 | 260.125 |
110 | 1.9927 | -765.5692 | 261.229 |
111 | 2.0028 | -765.5688 | 262.336 |
112 | 2.0128 | -765.5684 | 263.402 |
113 | 2.0228 | -765.5680 | 264.411 |
114 | 2.0328 | -765.5676 | 265.409 |
115 | 2.0429 | -765.5672 | 266.389 |
116 | 2.0529 | -765.5669 | 267.343 |
117 | 2.0629 | -765.5665 | 268.272 |
118 | 2.0729 | -765.5662 | 269.174 |
119 | 2.0830 | -765.5658 | 270.049 |
120 | 2.0930 | -765.5655 | 270.897 |
121 | 2.1030 | -765.5652 | 271.719 |
122 | 2.1130 | -765.5649 | 272.515 |
123 | 2.1231 | -765.5646 | 273.288 |
124 | 2.1331 | -765.5643 | 274.038 |
125 | 2.1431 | -765.5640 | 274.765 |
126 | 2.1531 | -765.5638 | 275.470 |
127 | 2.1632 | -765.5635 | 276.152 |
128 | 2.1732 | -765.5633 | 276.704 |
129 | 2.1832 | -765.5631 | 277.330 |
130 | 2.1932 | -765.5628 | 277.943 |
131 | 2.2033 | -765.5626 | 278.539 |
132 | 2.2133 | -765.5624 | 279.115 |
133 | 2.2233 | -765.5622 | 279.671 |
134 | 2.2333 | -765.5620 | 280.207 |
135 | 2.2434 | -765.5618 | 280.723 |
136 | 2.2534 | -765.5616 | 281.221 |
137 | 2.2634 | -765.5614 | 281.700 |
138 | 2.2734 | -765.5612 | 282.161 |
139 | 2.2835 | -765.5610 | 282.604 |
140 | 2.2935 | -765.5609 | 283.030 |
141 | 2.3035 | -765.5607 | 283.439 |
142 | 2.3135 | -765.5606 | 283.830 |
143 | 2.3236 | -765.5604 | 284.204 |
144 | 2.3336 | -765.6499 | 49.276 |
145 | 2.3436 | -765.6512 | 46.022 |
146 | 2.3536 | -765.6517 | 44.540 |
147 | 2.3637 | -765.6523 | 43.106 |
148 | 2.3737 | -765.6528 | 41.714 |
149 | 2.3837 | -765.6533 | 40.361 |
150 | 2.3937 | -765.6538 | 39.046 |
151 | 2.4038 | -765.6543 | 37.768 |
152 | 2.4138 | -765.6548 | 36.527 |
153 | 2.4238 | -765.6552 | 35.321 |
154 | 2.4338 | -765.6557 | 34.149 |
155 | 2.4439 | -765.6561 | 33.011 |
156 | 2.4539 | -765.6565 | 31.907 |
157 | 2.4639 | -765.6569 | 30.835 |
158 | 2.4739 | -765.6573 | 29.794 |
159 | 2.4840 | -765.6577 | 28.784 |
160 | 2.4940 | -765.6581 | 27.804 |
161 | 2.5040 | -765.6585 | 26.854 |
162 | 2.5140 | -765.6588 | 25.933 |
163 | 2.5241 | -765.6591 | 25.039 |
164 | 2.5341 | -765.6595 | 24.173 |
165 | 2.5441 | -765.6598 | 23.333 |
166 | 2.5541 | -765.6601 | 22.520 |
167 | 2.5642 | -765.6604 | 21.731 |
168 | 2.5742 | -765.6607 | 20.968 |
169 | 2.5842 | -765.6610 | 20.228 |
170 | 2.5942 | -765.6612 | 19.511 |
171 | 2.6043 | -765.6615 | 18.818 |
172 | 2.6143 | -765.6618 | 18.146 |
173 | 2.6243 | -765.6620 | 17.495 |
174 | 2.6343 | -765.6623 | 16.866 |
175 | 2.6444 | -765.6625 | 16.257 |
176 | 2.6544 | -765.6627 | 15.669 |
177 | 2.6644 | -765.6629 | 15.100 |
178 | 2.6744 | -765.6631 | 14.549 |
179 | 2.6845 | -765.6633 | 14.016 |
180 | 2.6945 | -765.6635 | 13.501 |
181 | 2.7045 | -765.6637 | 13.002 |
182 | 2.7145 | -765.6639 | 12.520 |
183 | 2.7246 | -765.6641 | 12.054 |
184 | 2.7346 | -765.6643 | 11.603 |
185 | 2.7446 | -765.6644 | 11.167 |
186 | 2.7546 | -765.6646 | 10.746 |
187 | 2.7647 | -765.6647 | 10.340 |
188 | 2.7747 | -765.6649 | 9.947 |
189 | 2.7847 | -765.6650 | 9.568 |
190 | 2.7947 | -765.6652 | 9.201 |
191 | 2.8048 | -765.6653 | 8.848 |
192 | 2.8148 | -765.6654 | 8.506 |
193 | 2.8248 | -765.6656 | 8.178 |
194 | 2.8348 | -765.6657 | 7.846 |
195 | 2.8449 | -765.6658 | 7.542 |
196 | 2.8549 | -765.6659 | 7.250 |
197 | 2.8649 | -765.6660 | 6.968 |
198 | 2.8749 | -765.6661 | 6.695 |
199 | 2.8850 | -765.6662 | 6.431 |
200 | 2.8950 | -765.6663 | 6.176 |
201 | 2.9050 | -765.6664 | 5.915 |
202 | 2.9150 | -765.6665 | 5.680 |
203 | 2.9251 | -765.6666 | 5.448 |
204 | 2.9351 | -765.6667 | 5.226 |
205 | 2.9451 | -765.6668 | 5.012 |
206 | 2.9551 | -765.6668 | 4.806 |
207 | 2.9652 | -765.6669 | 4.608 |
208 | 2.9752 | -765.6670 | 4.417 |
209 | 2.9852 | -765.6671 | 4.233 |
210 | 2.9952 | -765.6671 | 4.056 |
211 | 3.0053 | -765.6672 | 3.886 |
212 | 3.0153 | -765.6673 | 3.721 |
213 | 3.0253 | -765.6673 | 3.564 |
214 | 3.0353 | -765.6674 | 3.411 |
215 | 3.0454 | -765.6674 | 3.265 |
216 | 3.0554 | -765.6675 | 3.124 |
217 | 3.0654 | -765.6675 | 2.989 |
218 | 3.0754 | -765.6676 | 2.859 |
219 | 3.0855 | -765.6676 | 2.733 |
220 | 3.0955 | -765.6677 | 2.613 |
221 | 3.1055 | -765.6677 | 2.498 |
222 | 3.1155 | -765.6678 | 2.387 |
223 | 3.1256 | -765.6678 | 2.280 |
224 | 3.1356 | -765.6679 | 2.178 |
225 | 3.1456 | -765.6679 | 2.080 |
226 | 3.1556 | -765.6679 | 1.986 |
227 | 3.1657 | -765.6680 | 1.896 |
228 | 3.1757 | -765.6680 | 1.809 |
229 | 3.1857 | -765.6680 | 1.726 |
230 | 3.1957 | -765.6681 | 1.647 |
231 | 3.2058 | -765.6681 | 1.571 |
232 | 3.2158 | -765.6681 | 1.498 |
233 | 3.2258 | -765.6681 | 1.428 |
234 | 3.2358 | -765.6682 | 1.362 |
235 | 3.2459 | -765.6682 | 1.298 |
236 | 3.2559 | -765.6682 | 1.236 |
237 | 3.2659 | -765.6682 | 1.178 |
238 | 3.2759 | -765.6683 | 1.122 |
239 | 3.2860 | -765.6683 | 1.068 |
240 | 3.2960 | -765.6683 | 1.017 |
241 | 3.3060 | -765.6683 | 0.967 |
242 | 3.3160 | -765.6683 | 0.920 |
243 | 3.3261 | -765.6683 | 0.875 |
244 | 3.3361 | -765.6684 | 0.831 |
245 | 3.3461 | -765.6684 | 0.790 |
246 | 3.3561 | -765.6684 | 0.750 |
247 | 3.3662 | -765.6684 | 0.711 |
248 | 3.3762 | -765.6684 | 0.675 |
249 | 3.3862 | -765.6684 | 0.640 |
250 | 3.3962 | -765.6684 | 0.606 |
251 | 3.4063 | -765.6685 | 0.574 |
252 | 3.4163 | -765.6685 | 0.543 |
253 | 3.4263 | -765.6685 | 0.514 |
254 | 3.4363 | -765.6685 | 0.486 |
255 | 3.4464 | -765.6685 | 0.459 |
256 | 3.4564 | -765.6685 | 0.434 |
257 | 3.4664 | -765.6685 | 0.409 |
258 | 3.4764 | -765.6685 | 0.386 |
259 | 3.4865 | -765.6685 | 0.364 |
260 | 3.4965 | -765.6685 | 0.343 |
261 | 3.5065 | -765.6686 | 0.323 |
262 | 3.5165 | -765.6686 | 0.304 |
263 | 3.5266 | -765.6686 | 0.286 |
264 | 3.5366 | -765.6686 | 0.269 |
265 | 3.5466 | -765.6686 | 0.254 |
266 | 3.5566 | -765.6686 | 0.238 |
267 | 3.5667 | -765.6686 | 0.224 |
268 | 3.5767 | -765.6686 | 0.210 |
269 | 3.5867 | -765.6686 | 0.197 |
270 | 3.5967 | -765.6686 | 0.184 |
271 | 3.6068 | -765.6686 | 0.172 |
272 | 3.6168 | -765.6686 | 0.161 |
273 | 3.6268 | -765.6686 | 0.151 |
274 | 3.6368 | -765.6686 | 0.141 |
275 | 3.6469 | -765.6686 | 0.131 |
276 | 3.6569 | -765.6686 | 0.123 |
277 | 3.6669 | -765.6686 | 0.114 |
278 | 3.6769 | -765.6686 | 0.106 |
279 | 3.6870 | -765.6686 | 0.099 |
280 | 3.6970 | -765.6686 | 0.092 |
281 | 3.7070 | -765.6686 | 0.085 |
282 | 3.7170 | -765.6686 | 0.079 |
283 | 3.7271 | -765.6687 | 0.073 |
284 | 3.7371 | -765.6687 | 0.067 |
285 | 3.7471 | -765.6687 | 0.062 |
286 | 3.7571 | -765.6687 | 0.057 |
287 | 3.7672 | -765.6687 | 0.052 |
288 | 3.7772 | -765.6687 | 0.048 |
289 | 3.7872 | -765.6687 | 0.044 |
290 | 3.7972 | -765.6687 | 0.041 |
291 | 3.8073 | -765.6687 | 0.037 |
292 | 3.8173 | -765.6687 | 0.034 |
293 | 3.8273 | -765.6687 | 0.032 |
294 | 3.8373 | -765.6687 | 0.029 |
295 | 3.8474 | -765.6687 | 0.027 |
296 | 3.8574 | -765.6687 | 0.024 |
297 | 3.8674 | -765.6687 | 0.023 |
298 | 3.8774 | -765.6687 | 0.021 |
299 | 3.8875 | -765.6687 | 0.019 |
300 | 3.8975 | -765.6687 | 0.018 |
301 | 3.9075 | -765.6687 | 0.017 |
302 | 3.9175 | -765.6687 | 0.015 |
303 | 3.9276 | -765.6687 | 0.014 |
304 | 3.9376 | -765.6687 | 0.013 |
305 | 3.9476 | -765.6687 | 0.012 |
306 | 3.9576 | -765.6687 | 0.012 |
307 | 3.9677 | -765.6687 | 0.011 |
308 | 3.9777 | -765.6687 | 0.010 |
309 | 3.9877 | -765.6687 | 0.010 |
310 | 3.9977 | -765.6687 | 0.009 |
311 | 4.0078 | -765.6687 | 0.009 |
312 | 4.0178 | -765.6687 | 0.008 |
313 | 4.0278 | -765.6687 | 0.008 |
314 | 4.0378 | -765.6687 | 0.008 |
315 | 4.0479 | -765.6687 | 0.006 |
316 | 4.0579 | -765.6687 | 0.005 |
317 | 4.0679 | -765.6687 | 0.004 |
318 | 4.0779 | -765.6687 | 0.004 |
319 | 4.0880 | -765.6687 | 0.003 |
320 | 4.0980 | -765.6687 | 0.003 |
321 | 4.1080 | -765.6687 | 0.014 |
322 | 4.1180 | -765.6687 | 0.000 |
323 | 4.1281 | -765.6687 | 0.009 |
324 | 4.1381 | -765.6687 | 0.020 |
325 | 4.1481 | -765.6687 | 0.003 |
326 | 4.1581 | -765.6687 | 0.013 |
327 | 4.1682 | -765.6687 | 0.024 |
328 | 4.1782 | -765.6687 | 0.008 |
329 | 4.1882 | -765.6687 | 0.017 |
330 | 4.1982 | -765.6687 | 0.029 |
331 | 4.2083 | -765.6687 | 0.012 |
332 | 4.2183 | -765.6687 | 0.023 |
333 | 4.2283 | -765.6687 | 0.035 |
334 | 4.2383 | -765.6687 | 0.018 |
335 | 4.2484 | -765.6687 | 0.028 |
336 | 4.2584 | -765.6687 | 0.041 |
337 | 4.2684 | -765.6687 | 0.023 |
338 | 4.2784 | -765.6687 | 0.034 |
339 | 4.2885 | -765.6687 | 0.046 |
340 | 4.2985 | -765.6687 | 0.029 |
341 | 4.3085 | -765.6687 | 0.040 |
342 | 4.3185 | -765.6687 | 0.052 |
343 | 4.3286 | -765.6687 | 0.035 |
344 | 4.3386 | -765.6687 | 0.045 |
345 | 4.3486 | -765.6687 | 0.058 |
346 | 4.3586 | -765.6687 | 0.040 |
347 | 4.3687 | -765.6687 | 0.050 |
348 | 4.3787 | -765.6687 | 0.063 |
349 | 4.3887 | -765.6687 | 0.045 |
350 | 4.3987 | -765.6687 | 0.055 |
351 | 4.4088 | -765.6687 | 0.067 |
352 | 4.4188 | -765.6687 | 0.049 |
353 | 4.4288 | -765.6687 | 0.059 |
354 | 4.4388 | -765.6687 | 0.071 |
355 | 4.4489 | -765.6687 | 0.053 |
356 | 4.4589 | -765.6687 | 0.063 |
357 | 4.4689 | -765.6687 | 0.076 |
358 | 4.4789 | -765.6686 | 0.082 |
359 | 4.4890 | -765.6686 | 0.087 |
360 | 4.4990 | -765.6686 | 0.092 |
361 | 4.5090 | -765.6686 | 0.097 |
362 | 4.5190 | -765.6686 | 0.101 |
363 | 4.5291 | -765.6686 | 0.105 |
364 | 4.5391 | -765.6686 | 0.109 |
365 | 4.5491 | -765.6686 | 0.112 |
366 | 4.5591 | -765.6686 | 0.116 |
367 | 4.5692 | -765.6686 | 0.119 |
368 | 4.5792 | -765.6686 | 0.123 |
369 | 4.5892 | -765.6686 | 0.126 |
370 | 4.5992 | -765.6686 | 0.129 |
371 | 4.6093 | -765.6686 | 0.132 |
372 | 4.6193 | -765.6686 | 0.135 |
373 | 4.6293 | -765.6686 | 0.138 |
374 | 4.6393 | -765.6686 | 0.141 |
375 | 4.6494 | -765.6686 | 0.144 |
376 | 4.6594 | -765.6686 | 0.147 |
377 | 4.6694 | -765.6686 | 0.150 |
378 | 4.6794 | -765.6686 | 0.153 |
379 | 4.6895 | -765.6686 | 0.156 |
380 | 4.6995 | -765.6686 | 0.159 |
381 | 4.7095 | -765.6686 | 0.161 |
382 | 4.7195 | -765.6686 | 0.164 |
383 | 4.7296 | -765.6686 | 0.155 |
384 | 4.7396 | -765.6686 | 0.151 |
385 | 4.7496 | -765.6686 | 0.150 |
386 | 4.7596 | -765.6686 | 0.149 |
387 | 4.7697 | -765.6686 | 0.149 |
388 | 4.7797 | -765.6686 | 0.150 |
389 | 4.7897 | -765.6686 | 0.150 |
390 | 4.7997 | -765.6686 | 0.151 |
391 | 4.8098 | -765.6686 | 0.152 |
392 | 4.8198 | -765.6686 | 0.152 |
393 | 4.8298 | -765.6686 | 0.153 |
394 | 4.8398 | -765.6686 | 0.153 |
395 | 4.8499 | -765.6686 | 0.154 |
396 | 4.8599 | -765.6686 | 0.154 |
397 | 4.8699 | -765.6686 | 0.155 |
398 | 4.8799 | -765.6686 | 0.155 |
399 | 4.8900 | -765.6686 | 0.155 |
400 | 4.9000 | -765.6686 | 0.155 |