PhN2+ Cl-
n | d, A | Eh | E, kJ/mol |
52 min | 1.4113 | -801.3542 | 0.000 |
125 max | 2.1431 | -801.3035 | 133.319 |
270 min | 3.5967 | -801.3126 | 109.435 |
n | d, A | Eh | E, kJ/mol |
1 | 0.9000 | -800.8630 | 1289.846 |
2 | 0.9100 | -800.8955 | 1204.303 |
3 | 0.9201 | -800.9262 | 1123.805 |
4 | 0.9301 | -800.9550 | 1048.086 |
5 | 0.9401 | -800.9822 | 976.884 |
6 | 0.9501 | -801.0077 | 909.952 |
7 | 0.9602 | -801.0316 | 847.059 |
8 | 0.9702 | -801.0541 | 788.005 |
9 | 0.9802 | -801.0752 | 732.530 |
10 | 0.9902 | -801.0951 | 680.502 |
11 | 1.0003 | -801.1137 | 631.665 |
12 | 1.0103 | -801.1311 | 585.912 |
13 | 1.0203 | -801.1474 | 543.014 |
14 | 1.0303 | -801.1627 | 502.868 |
15 | 1.0404 | -801.1770 | 465.257 |
16 | 1.0504 | -801.1904 | 430.110 |
17 | 1.0604 | -801.2029 | 397.265 |
18 | 1.0704 | -801.2146 | 366.510 |
19 | 1.0805 | -801.2256 | 337.861 |
20 | 1.0905 | -801.2357 | 311.152 |
21 | 1.1005 | -801.2453 | 285.982 |
22 | 1.1105 | -801.2542 | 262.725 |
23 | 1.1206 | -801.2624 | 241.111 |
24 | 1.1306 | -801.2701 | 221.032 |
25 | 1.1406 | -801.2773 | 202.070 |
26 | 1.1506 | -801.2839 | 184.628 |
27 | 1.1607 | -801.2901 | 168.482 |
28 | 1.1707 | -801.3018 | 137.747 |
29 | 1.1807 | -801.3073 | 123.321 |
30 | 1.1907 | -801.3124 | 109.989 |
31 | 1.2008 | -801.3170 | 97.711 |
32 | 1.2108 | -801.3213 | 86.416 |
33 | 1.2208 | -801.3253 | 76.055 |
34 | 1.2308 | -801.3289 | 66.571 |
35 | 1.2409 | -801.3322 | 57.920 |
36 | 1.2509 | -801.3352 | 50.048 |
37 | 1.2609 | -801.3379 | 42.916 |
38 | 1.2709 | -801.3404 | 36.477 |
39 | 1.2810 | -801.3426 | 30.694 |
40 | 1.2910 | -801.3445 | 25.526 |
41 | 1.3010 | -801.3463 | 20.938 |
42 | 1.3110 | -801.3478 | 16.895 |
43 | 1.3211 | -801.3492 | 13.364 |
44 | 1.3311 | -801.3503 | 10.314 |
45 | 1.3411 | -801.3513 | 7.715 |
46 | 1.3511 | -801.3521 | 5.551 |
47 | 1.3612 | -801.3528 | 3.780 |
48 | 1.3712 | -801.3533 | 2.360 |
49 | 1.3812 | -801.3537 | 1.300 |
50 | 1.3912 | -801.3540 | 0.564 |
51 | 1.4013 | -801.3542 | 0.144 |
52 | 1.4113 | -801.3542 | 0.000 |
53 | 1.4213 | -801.3542 | 0.107 |
54 | 1.4313 | -801.3541 | 0.469 |
55 | 1.4414 | -801.3538 | 1.068 |
56 | 1.4514 | -801.3535 | 1.873 |
57 | 1.4614 | -801.3532 | 2.862 |
58 | 1.4714 | -801.3527 | 4.040 |
59 | 1.4815 | -801.3522 | 5.395 |
60 | 1.4915 | -801.3516 | 6.896 |
61 | 1.5015 | -801.3510 | 8.529 |
62 | 1.5115 | -801.3503 | 10.308 |
63 | 1.5216 | -801.3496 | 12.195 |
64 | 1.5316 | -801.3488 | 14.185 |
65 | 1.5416 | -801.3480 | 16.286 |
66 | 1.5516 | -801.3472 | 18.469 |
67 | 1.5617 | -801.3464 | 20.723 |
68 | 1.5717 | -801.3455 | 23.063 |
69 | 1.5817 | -801.3445 | 25.457 |
70 | 1.5917 | -801.3436 | 27.902 |
71 | 1.6018 | -801.3427 | 30.409 |
72 | 1.6118 | -801.3417 | 32.950 |
73 | 1.6218 | -801.3407 | 35.534 |
74 | 1.6318 | -801.3397 | 38.139 |
75 | 1.6419 | -801.3387 | 40.777 |
76 | 1.6519 | -801.3377 | 43.423 |
77 | 1.6619 | -801.3367 | 46.096 |
78 | 1.6719 | -801.3357 | 48.765 |
79 | 1.6820 | -801.3347 | 51.428 |
80 | 1.6920 | -801.3336 | 54.117 |
81 | 1.7020 | -801.3326 | 56.801 |
82 | 1.7120 | -801.3316 | 59.484 |
83 | 1.7221 | -801.3306 | 62.151 |
84 | 1.7321 | -801.3296 | 64.814 |
85 | 1.7421 | -801.3286 | 67.454 |
86 | 1.7521 | -801.3275 | 70.086 |
87 | 1.7622 | -801.3266 | 72.688 |
88 | 1.7722 | -801.3256 | 75.281 |
89 | 1.7822 | -801.3246 | 77.787 |
90 | 1.7922 | -801.3236 | 80.328 |
91 | 1.8023 | -801.3227 | 82.837 |
92 | 1.8123 | -801.3217 | 85.330 |
93 | 1.8223 | -801.3208 | 87.733 |
94 | 1.8323 | -801.3199 | 90.147 |
95 | 1.8424 | -801.3190 | 92.533 |
96 | 1.8524 | -801.3181 | 94.886 |
97 | 1.8624 | -801.3172 | 97.202 |
98 | 1.8724 | -801.3164 | 99.482 |
99 | 1.8825 | -801.3155 | 101.640 |
100 | 1.8925 | -801.3147 | 103.825 |
101 | 1.9025 | -801.3139 | 105.979 |
102 | 1.9125 | -801.3131 | 108.094 |
103 | 1.9226 | -801.3123 | 110.058 |
104 | 1.9326 | -801.3116 | 112.053 |
105 | 1.9426 | -801.3108 | 114.018 |
106 | 1.9526 | -801.3101 | 115.833 |
107 | 1.9627 | -801.3094 | 117.663 |
108 | 1.9727 | -801.3087 | 119.461 |
109 | 1.9827 | -801.3081 | 121.077 |
110 | 1.9927 | -801.3075 | 122.710 |
111 | 2.0028 | -801.3069 | 124.310 |
112 | 2.0128 | -801.3064 | 125.616 |
113 | 2.0228 | -801.3059 | 126.978 |
114 | 2.0328 | -801.3054 | 128.300 |
115 | 2.0429 | -801.3050 | 129.260 |
116 | 2.0529 | -801.3046 | 130.260 |
117 | 2.0629 | -801.3043 | 131.215 |
118 | 2.0729 | -801.3041 | 131.651 |
119 | 2.0830 | -801.3039 | 132.216 |
120 | 2.0930 | -801.3037 | 132.727 |
121 | 2.1030 | -801.3036 | 132.851 |
122 | 2.1130 | -801.3036 | 133.084 |
123 | 2.1231 | -801.3035 | 133.283 |
124 | 2.1331 | -801.3035 | 133.285 |
125 | 2.1431 | -801.3035 | 133.319 |
126 | 2.1531 | -801.3035 | 133.300 |
127 | 2.1632 | -801.3035 | 133.253 |
128 | 2.1732 | -801.3035 | 133.198 |
129 | 2.1832 | -801.3035 | 133.123 |
130 | 2.1932 | -801.3036 | 133.024 |
131 | 2.2033 | -801.3036 | 132.900 |
132 | 2.2133 | -801.3038 | 132.510 |
133 | 2.2233 | -801.3038 | 132.310 |
134 | 2.2333 | -801.3039 | 132.110 |
135 | 2.2434 | -801.3040 | 131.906 |
136 | 2.2534 | -801.3041 | 131.693 |
137 | 2.2634 | -801.3042 | 131.471 |
138 | 2.2734 | -801.3043 | 131.240 |
139 | 2.2835 | -801.3043 | 131.000 |
140 | 2.2935 | -801.3044 | 130.753 |
141 | 2.3035 | -801.3045 | 130.498 |
142 | 2.3135 | -801.3046 | 130.243 |
143 | 2.3236 | -801.3047 | 129.988 |
144 | 2.3336 | -801.3048 | 129.732 |
145 | 2.3436 | -801.3049 | 129.474 |
146 | 2.3536 | -801.3050 | 129.213 |
147 | 2.3637 | -801.3051 | 128.950 |
148 | 2.3737 | -801.3052 | 128.685 |
149 | 2.3837 | -801.3053 | 128.419 |
150 | 2.3937 | -801.3054 | 128.151 |
151 | 2.4038 | -801.3055 | 127.882 |
152 | 2.4138 | -801.3056 | 127.612 |
153 | 2.4238 | -801.3057 | 127.342 |
154 | 2.4338 | -801.3058 | 127.072 |
155 | 2.4439 | -801.3059 | 126.801 |
156 | 2.4539 | -801.3061 | 126.531 |
157 | 2.4639 | -801.3062 | 126.261 |
158 | 2.4739 | -801.3079 | 121.770 |
159 | 2.4840 | -801.3080 | 121.372 |
160 | 2.4940 | -801.3082 | 120.989 |
161 | 2.5040 | -801.3083 | 120.616 |
162 | 2.5140 | -801.3084 | 120.253 |
163 | 2.5241 | -801.3086 | 119.899 |
164 | 2.5341 | -801.3087 | 119.554 |
165 | 2.5441 | -801.3088 | 119.218 |
166 | 2.5541 | -801.3090 | 118.891 |
167 | 2.5642 | -801.3091 | 118.573 |
168 | 2.5742 | -801.3092 | 118.263 |
169 | 2.5842 | -801.3093 | 117.961 |
170 | 2.5942 | -801.3094 | 117.668 |
171 | 2.6043 | -801.3095 | 117.382 |
172 | 2.6143 | -801.3096 | 117.104 |
173 | 2.6243 | -801.3097 | 116.834 |
174 | 2.6343 | -801.3098 | 116.572 |
175 | 2.6444 | -801.3099 | 116.317 |
176 | 2.6544 | -801.3100 | 116.070 |
177 | 2.6644 | -801.3101 | 115.829 |
178 | 2.6744 | -801.3102 | 115.595 |
179 | 2.6845 | -801.3103 | 115.368 |
180 | 2.6945 | -801.3104 | 115.148 |
181 | 2.7045 | -801.3105 | 114.934 |
182 | 2.7145 | -801.3105 | 114.726 |
183 | 2.7246 | -801.3106 | 114.525 |
184 | 2.7346 | -801.3107 | 114.330 |
185 | 2.7446 | -801.3108 | 114.140 |
186 | 2.7546 | -801.3108 | 113.957 |
187 | 2.7647 | -801.3109 | 113.779 |
188 | 2.7747 | -801.3110 | 113.607 |
189 | 2.7847 | -801.3110 | 113.440 |
190 | 2.7947 | -801.3111 | 113.279 |
191 | 2.8048 | -801.3112 | 113.123 |
192 | 2.8148 | -801.3112 | 112.972 |
193 | 2.8248 | -801.3113 | 112.826 |
194 | 2.8348 | -801.3113 | 112.685 |
195 | 2.8449 | -801.3114 | 112.549 |
196 | 2.8549 | -801.3114 | 112.417 |
197 | 2.8649 | -801.3115 | 112.291 |
198 | 2.8749 | -801.3115 | 112.168 |
199 | 2.8850 | -801.3116 | 112.050 |
200 | 2.8950 | -801.3116 | 111.935 |
201 | 2.9050 | -801.3117 | 111.825 |
202 | 2.9150 | -801.3117 | 111.719 |
203 | 2.9251 | -801.3117 | 111.616 |
204 | 2.9351 | -801.3118 | 111.517 |
205 | 2.9451 | -801.3118 | 111.421 |
206 | 2.9551 | -801.3118 | 111.329 |
207 | 2.9652 | -801.3119 | 111.240 |
208 | 2.9752 | -801.3119 | 111.129 |
209 | 2.9852 | -801.3120 | 111.034 |
210 | 2.9952 | -801.3120 | 110.949 |
211 | 3.0053 | -801.3120 | 110.869 |
212 | 3.0153 | -801.3120 | 110.794 |
213 | 3.0253 | -801.3121 | 110.723 |
214 | 3.0353 | -801.3121 | 110.654 |
215 | 3.0454 | -801.3121 | 110.589 |
216 | 3.0554 | -801.3121 | 110.526 |
217 | 3.0654 | -801.3122 | 110.467 |
218 | 3.0754 | -801.3122 | 110.409 |
219 | 3.0855 | -801.3122 | 110.355 |
220 | 3.0955 | -801.3122 | 110.303 |
221 | 3.1055 | -801.3123 | 110.253 |
222 | 3.1155 | -801.3123 | 110.205 |
223 | 3.1256 | -801.3123 | 110.159 |
224 | 3.1356 | -801.3123 | 110.116 |
225 | 3.1456 | -801.3123 | 110.074 |
226 | 3.1556 | -801.3123 | 110.038 |
227 | 3.1657 | -801.3123 | 110.003 |
228 | 3.1757 | -801.3124 | 109.969 |
229 | 3.1857 | -801.3124 | 109.937 |
230 | 3.1957 | -801.3124 | 109.905 |
231 | 3.2058 | -801.3124 | 109.876 |
232 | 3.2158 | -801.3124 | 109.848 |
233 | 3.2258 | -801.3124 | 109.821 |
234 | 3.2358 | -801.3124 | 109.795 |
235 | 3.2459 | -801.3124 | 109.771 |
236 | 3.2559 | -801.3124 | 109.748 |
237 | 3.2659 | -801.3125 | 109.727 |
238 | 3.2759 | -801.3125 | 109.706 |
239 | 3.2860 | -801.3125 | 109.687 |
240 | 3.2960 | -801.3125 | 109.668 |
241 | 3.3060 | -801.3125 | 109.651 |
242 | 3.3160 | -801.3125 | 109.635 |
243 | 3.3261 | -801.3125 | 109.619 |
244 | 3.3361 | -801.3125 | 109.605 |
245 | 3.3461 | -801.3125 | 109.591 |
246 | 3.3561 | -801.3125 | 109.579 |
247 | 3.3662 | -801.3125 | 109.567 |
248 | 3.3762 | -801.3125 | 109.556 |
249 | 3.3862 | -801.3125 | 109.546 |
250 | 3.3962 | -801.3125 | 109.536 |
251 | 3.4063 | -801.3125 | 109.528 |
252 | 3.4163 | -801.3125 | 109.520 |
253 | 3.4263 | -801.3125 | 109.512 |
254 | 3.4363 | -801.3125 | 109.506 |
255 | 3.4464 | -801.3125 | 109.500 |
256 | 3.4564 | -801.3125 | 109.495 |
257 | 3.4664 | -801.3125 | 109.490 |
258 | 3.4764 | -801.3125 | 109.486 |
259 | 3.4865 | -801.3125 | 109.483 |
260 | 3.4965 | -801.3125 | 109.480 |
261 | 3.5065 | -801.3125 | 109.478 |
262 | 3.5165 | -801.3125 | 109.468 |
263 | 3.5266 | -801.3126 | 109.461 |
264 | 3.5366 | -801.3126 | 109.455 |
265 | 3.5466 | -801.3126 | 109.450 |
266 | 3.5566 | -801.3126 | 109.445 |
267 | 3.5667 | -801.3126 | 109.442 |
268 | 3.5767 | -801.3126 | 109.439 |
269 | 3.5867 | -801.3126 | 109.437 |
270 | 3.5967 | -801.3126 | 109.435 |
271 | 3.6068 | -801.3126 | 109.437 |
272 | 3.6168 | -801.3126 | 109.440 |
273 | 3.6268 | -801.3126 | 109.442 |
274 | 3.6368 | -801.3126 | 109.445 |
275 | 3.6469 | -801.3126 | 109.448 |
276 | 3.6569 | -801.3126 | 109.450 |
277 | 3.6669 | -801.3126 | 109.452 |
278 | 3.6769 | -801.3126 | 109.454 |
279 | 3.6870 | -801.3126 | 109.456 |
280 | 3.6970 | -801.3126 | 109.458 |
281 | 3.7070 | -801.3126 | 109.459 |
282 | 3.7170 | -801.3126 | 109.461 |
283 | 3.7271 | -801.3126 | 109.463 |
284 | 3.7371 | -801.3126 | 109.465 |
285 | 3.7471 | -801.3125 | 109.467 |
286 | 3.7571 | -801.3125 | 109.469 |
287 | 3.7672 | -801.3125 | 109.471 |
288 | 3.7772 | -801.3125 | 109.473 |
289 | 3.7872 | -801.3125 | 109.475 |
290 | 3.7972 | -801.3125 | 109.477 |
291 | 3.8073 | -801.3125 | 109.480 |
292 | 3.8173 | -801.3125 | 109.482 |
293 | 3.8273 | -801.3125 | 109.485 |
294 | 3.8373 | -801.3125 | 109.488 |
295 | 3.8474 | -801.3125 | 109.490 |
296 | 3.8574 | -801.3125 | 109.493 |
297 | 3.8674 | -801.3125 | 109.496 |
298 | 3.8774 | -801.3125 | 109.499 |
299 | 3.8875 | -801.3125 | 109.502 |
300 | 3.8975 | -801.3125 | 109.505 |
301 | 3.9075 | -801.3125 | 109.507 |
302 | 3.9175 | -801.3125 | 109.510 |
303 | 3.9276 | -801.3125 | 109.513 |
304 | 3.9376 | -801.3125 | 109.517 |
305 | 3.9476 | -801.3125 | 109.520 |
306 | 3.9576 | -801.3125 | 109.524 |
307 | 3.9677 | -801.3125 | 109.527 |
308 | 3.9777 | -801.3125 | 109.530 |
309 | 3.9877 | -801.3125 | 109.533 |
310 | 3.9977 | -801.3125 | 109.536 |
311 | 4.0078 | -801.3125 | 109.539 |
312 | 4.0178 | -801.3125 | 109.543 |
313 | 4.0278 | -801.3125 | 109.546 |
314 | 4.0378 | -801.3125 | 109.549 |
315 | 4.0479 | -801.3125 | 109.552 |
316 | 4.0579 | -801.3125 | 109.555 |
317 | 4.0679 | -801.3125 | 109.558 |
318 | 4.0779 | -801.3125 | 109.561 |
319 | 4.0880 | -801.3125 | 109.564 |
320 | 4.0980 | -801.3125 | 109.566 |
321 | 4.1080 | -801.3125 | 109.569 |
322 | 4.1180 | -801.3125 | 109.572 |
323 | 4.1281 | -801.3125 | 109.576 |
324 | 4.1381 | -801.3125 | 109.579 |
325 | 4.1481 | -801.3125 | 109.582 |
326 | 4.1581 | -801.3125 | 109.585 |
327 | 4.1682 | -801.3125 | 109.588 |
328 | 4.1782 | -801.3125 | 109.591 |
329 | 4.1882 | -801.3125 | 109.594 |
330 | 4.1982 | -801.3125 | 109.597 |
331 | 4.2083 | -801.3125 | 109.600 |
332 | 4.2183 | -801.3125 | 109.602 |
333 | 4.2283 | -801.3125 | 109.605 |
334 | 4.2383 | -801.3125 | 109.608 |
335 | 4.2484 | -801.3125 | 109.611 |
336 | 4.2584 | -801.3125 | 109.614 |
337 | 4.2684 | -801.3125 | 109.617 |
338 | 4.2784 | -801.3125 | 109.620 |
339 | 4.2885 | -801.3125 | 109.622 |
340 | 4.2985 | -801.3125 | 109.625 |
341 | 4.3085 | -801.3125 | 109.628 |
342 | 4.3185 | -801.3125 | 109.630 |
343 | 4.3286 | -801.3125 | 109.633 |
344 | 4.3386 | -801.3125 | 109.636 |
345 | 4.3486 | -801.3125 | 109.638 |
346 | 4.3586 | -801.3125 | 109.641 |
347 | 4.3687 | -801.3125 | 109.643 |
348 | 4.3787 | -801.3125 | 109.646 |
349 | 4.3887 | -801.3125 | 109.649 |
350 | 4.3987 | -801.3125 | 109.651 |
351 | 4.4088 | -801.3125 | 109.654 |
352 | 4.4188 | -801.3125 | 109.656 |
353 | 4.4288 | -801.3125 | 109.659 |
354 | 4.4388 | -801.3125 | 109.662 |
355 | 4.4489 | -801.3125 | 109.664 |
356 | 4.4589 | -801.3125 | 109.667 |
357 | 4.4689 | -801.3125 | 109.670 |
358 | 4.4789 | -801.3125 | 109.672 |
359 | 4.4890 | -801.3125 | 109.675 |
360 | 4.4990 | -801.3125 | 109.678 |
361 | 4.5090 | -801.3125 | 109.678 |
362 | 4.5190 | -801.3125 | 109.679 |
363 | 4.5291 | -801.3125 | 109.680 |
364 | 4.5391 | -801.3125 | 109.682 |
365 | 4.5491 | -801.3125 | 109.683 |
366 | 4.5591 | -801.3125 | 109.684 |
367 | 4.5692 | -801.3125 | 109.686 |
368 | 4.5792 | -801.3125 | 109.688 |
369 | 4.5892 | -801.3125 | 109.689 |
370 | 4.5992 | -801.3125 | 109.691 |
371 | 4.6093 | -801.3125 | 109.693 |
372 | 4.6193 | -801.3125 | 109.695 |
373 | 4.6293 | -801.3125 | 109.696 |
374 | 4.6393 | -801.3125 | 109.698 |
375 | 4.6494 | -801.3125 | 109.700 |
376 | 4.6594 | -801.3125 | 109.702 |
377 | 4.6694 | -801.3125 | 109.704 |
378 | 4.6794 | -801.3125 | 109.706 |
379 | 4.6895 | -801.3125 | 109.708 |
380 | 4.6995 | -801.3125 | 109.710 |
381 | 4.7095 | -801.3125 | 109.712 |
382 | 4.7195 | -801.3125 | 109.714 |
383 | 4.7296 | -801.3125 | 109.716 |
384 | 4.7396 | -801.3125 | 109.718 |
385 | 4.7496 | -801.3125 | 109.720 |
386 | 4.7596 | -801.3125 | 109.722 |
387 | 4.7697 | -801.3125 | 109.724 |
388 | 4.7797 | -801.3125 | 109.726 |
389 | 4.7897 | -801.3125 | 109.728 |
390 | 4.7997 | -801.3124 | 109.730 |
391 | 4.8098 | -801.3124 | 109.732 |
392 | 4.8198 | -801.3124 | 109.734 |
393 | 4.8298 | -801.3124 | 109.736 |
394 | 4.8398 | -801.3124 | 109.738 |
395 | 4.8499 | -801.3124 | 109.740 |
396 | 4.8599 | -801.3124 | 109.742 |
397 | 4.8699 | -801.3124 | 109.744 |
398 | 4.8799 | -801.3124 | 109.746 |
399 | 4.8900 | -801.3124 | 109.748 |
400 | 4.9000 | -801.3124 | 109.750 |