PhN2+
n | d, A | Eh | E, kJ/mol |
49 min | 1.3812 | -340.8808 | 0.000 |
n | d, A | Eh | E, kJ/mol |
1 | 0.9000 | -340.3988 | 1265.462 |
2 | 0.9100 | -340.4322 | 1177.856 |
3 | 0.9201 | -340.4636 | 1095.493 |
4 | 0.9301 | -340.4931 | 1018.058 |
5 | 0.9401 | -340.5208 | 945.247 |
6 | 0.9501 | -340.5469 | 876.869 |
7 | 0.9602 | -340.5713 | 812.640 |
8 | 0.9702 | -340.5943 | 752.356 |
9 | 0.9802 | -340.6158 | 695.798 |
10 | 0.9902 | -340.6360 | 642.749 |
11 | 1.0003 | -340.6550 | 593.036 |
12 | 1.0103 | -340.6727 | 546.466 |
13 | 1.0203 | -340.6893 | 502.873 |
14 | 1.0303 | -340.7048 | 462.076 |
15 | 1.0404 | -340.7194 | 423.949 |
16 | 1.0504 | -340.7329 | 388.333 |
17 | 1.0604 | -340.7456 | 355.088 |
18 | 1.0704 | -340.7574 | 324.066 |
19 | 1.0805 | -340.7684 | 295.180 |
20 | 1.0905 | -340.7786 | 268.295 |
21 | 1.1005 | -340.7882 | 243.297 |
22 | 1.1105 | -340.7970 | 220.068 |
23 | 1.1206 | -340.8052 | 198.539 |
24 | 1.1306 | -340.8128 | 178.601 |
25 | 1.1406 | -340.8198 | 160.163 |
26 | 1.1506 | -340.8263 | 143.139 |
27 | 1.1607 | -340.8323 | 127.438 |
28 | 1.1707 | -340.8378 | 113.012 |
29 | 1.1807 | -340.8428 | 99.774 |
30 | 1.1907 | -340.8474 | 87.653 |
31 | 1.2008 | -340.8517 | 76.585 |
32 | 1.2108 | -340.8555 | 66.509 |
33 | 1.2208 | -340.8590 | 57.365 |
34 | 1.2308 | -340.8621 | 49.098 |
35 | 1.2409 | -340.8650 | 41.657 |
36 | 1.2509 | -340.8675 | 34.989 |
37 | 1.2609 | -340.8698 | 29.049 |
38 | 1.2709 | -340.8718 | 23.790 |
39 | 1.2810 | -340.8735 | 19.170 |
40 | 1.2910 | -340.8751 | 15.147 |
41 | 1.3010 | -340.8764 | 11.683 |
42 | 1.3110 | -340.8775 | 8.741 |
43 | 1.3211 | -340.8784 | 6.285 |
44 | 1.3311 | -340.8792 | 4.282 |
45 | 1.3411 | -340.8798 | 2.700 |
46 | 1.3511 | -340.8803 | 1.508 |
47 | 1.3612 | -340.8806 | 0.679 |
48 | 1.3712 | -340.8808 | 0.185 |
49 | 1.3812 | -340.8808 | 0.000 |
50 | 1.3912 | -340.8808 | 0.100 |
51 | 1.4013 | -340.8807 | 0.461 |
52 | 1.4113 | -340.8804 | 1.061 |
53 | 1.4213 | -340.8801 | 1.881 |
54 | 1.4313 | -340.8797 | 2.899 |
55 | 1.4414 | -340.8793 | 4.097 |
56 | 1.4514 | -340.8788 | 5.457 |
57 | 1.4614 | -340.8782 | 6.963 |
58 | 1.4714 | -340.8776 | 8.599 |
59 | 1.4815 | -340.8769 | 10.350 |
60 | 1.4915 | -340.8762 | 12.202 |
61 | 1.5015 | -340.8754 | 14.141 |
62 | 1.5115 | -340.8747 | 16.157 |
63 | 1.5216 | -340.8739 | 18.236 |
64 | 1.5316 | -340.8731 | 20.369 |
65 | 1.5416 | -340.8722 | 22.545 |
66 | 1.5516 | -340.8714 | 24.756 |
67 | 1.5617 | -340.8706 | 26.992 |
68 | 1.5717 | -340.8697 | 29.245 |
69 | 1.5817 | -340.8688 | 31.509 |
70 | 1.5917 | -340.8680 | 33.776 |
71 | 1.6018 | -340.8671 | 36.041 |
72 | 1.6118 | -340.8662 | 38.297 |
73 | 1.6218 | -340.8654 | 40.539 |
74 | 1.6318 | -340.8645 | 42.763 |
75 | 1.6419 | -340.8637 | 44.965 |
76 | 1.6519 | -340.8629 | 47.140 |
77 | 1.6619 | -340.8621 | 49.286 |
78 | 1.6719 | -340.8613 | 51.400 |
79 | 1.6820 | -340.8605 | 53.479 |
80 | 1.6920 | -340.8597 | 55.521 |
81 | 1.7020 | -340.8589 | 57.524 |
82 | 1.7120 | -340.8582 | 59.487 |
83 | 1.7221 | -340.8574 | 61.408 |
84 | 1.7321 | -340.8567 | 63.287 |
85 | 1.7421 | -340.8560 | 65.122 |
86 | 1.7521 | -340.8553 | 66.913 |
87 | 1.7622 | -340.8547 | 68.660 |
88 | 1.7722 | -340.8540 | 70.363 |
89 | 1.7822 | -340.8534 | 72.021 |
90 | 1.7922 | -340.8528 | 73.634 |
91 | 1.8023 | -340.8522 | 75.204 |
92 | 1.8123 | -340.8516 | 76.730 |
93 | 1.8223 | -340.8510 | 78.212 |
94 | 1.8323 | -340.8505 | 79.652 |
95 | 1.8424 | -340.8500 | 81.050 |
96 | 1.8524 | -340.8494 | 82.407 |
97 | 1.8624 | -340.8489 | 83.723 |
98 | 1.8724 | -340.8485 | 84.999 |
99 | 1.8825 | -340.8480 | 86.237 |
100 | 1.8925 | -340.8475 | 87.438 |
101 | 1.9025 | -340.8471 | 88.601 |
102 | 1.9125 | -340.8467 | 89.728 |
103 | 1.9226 | -340.8462 | 90.821 |
104 | 1.9326 | -340.8458 | 91.879 |
105 | 1.9426 | -340.8454 | 92.904 |
106 | 1.9526 | -340.8451 | 93.898 |
107 | 1.9627 | -340.8447 | 94.860 |
108 | 1.9727 | -340.8443 | 95.792 |
109 | 1.9827 | -340.8440 | 96.695 |
110 | 1.9927 | -340.8437 | 97.569 |
111 | 2.0028 | -340.8434 | 98.417 |
112 | 2.0128 | -340.8430 | 99.238 |
113 | 2.0228 | -340.8427 | 100.033 |
114 | 2.0328 | -340.8424 | 100.804 |
115 | 2.0429 | -340.8422 | 101.551 |
116 | 2.0529 | -340.8419 | 102.276 |
117 | 2.0629 | -340.8416 | 102.978 |
118 | 2.0729 | -340.8414 | 103.659 |
119 | 2.0830 | -340.8411 | 104.320 |
120 | 2.0930 | -340.8409 | 104.961 |
121 | 2.1030 | -340.8406 | 105.584 |
122 | 2.1130 | -340.8404 | 106.188 |
123 | 2.1231 | -340.8402 | 106.775 |
124 | 2.1331 | -340.8399 | 107.345 |
125 | 2.1431 | -340.8397 | 107.900 |
126 | 2.1531 | -340.8395 | 108.439 |
127 | 2.1632 | -340.8393 | 108.963 |
128 | 2.1732 | -340.8391 | 109.472 |
129 | 2.1832 | -340.8390 | 109.969 |
130 | 2.1932 | -340.8388 | 110.452 |
131 | 2.2033 | -340.8386 | 110.923 |
132 | 2.2133 | -340.8384 | 111.382 |
133 | 2.2233 | -340.8382 | 111.829 |
134 | 2.2333 | -340.8381 | 112.266 |
135 | 2.2434 | -340.8379 | 112.692 |
136 | 2.2534 | -340.8378 | 113.108 |
137 | 2.2634 | -340.8376 | 113.515 |
138 | 2.2734 | -340.8374 | 113.913 |
139 | 2.2835 | -340.8373 | 114.302 |
140 | 2.2935 | -340.8372 | 114.682 |
141 | 2.3035 | -340.8370 | 115.055 |
142 | 2.3135 | -340.8369 | 115.420 |
143 | 2.3236 | -340.8367 | 115.778 |
144 | 2.3336 | -340.8366 | 116.129 |
145 | 2.3436 | -340.8365 | 116.473 |
146 | 2.3536 | -340.8363 | 116.811 |
147 | 2.3637 | -340.8362 | 117.138 |
148 | 2.3737 | -340.8361 | 117.470 |
149 | 2.3837 | -340.8360 | 117.799 |
150 | 2.3937 | -340.8358 | 118.122 |
151 | 2.4038 | -340.8357 | 118.439 |
152 | 2.4138 | -340.8356 | 118.749 |
153 | 2.4238 | -340.8355 | 119.054 |
154 | 2.4338 | -340.8354 | 119.356 |
155 | 2.4439 | -340.8353 | 119.653 |
156 | 2.4539 | -340.8352 | 119.944 |
157 | 2.4639 | -340.8351 | 120.178 |
158 | 2.4739 | -340.8350 | 120.467 |
159 | 2.4840 | -340.8348 | 120.756 |
160 | 2.4940 | -340.8347 | 121.040 |
161 | 2.5040 | -340.8346 | 121.318 |
162 | 2.5140 | -340.8345 | 121.549 |
163 | 2.5241 | -340.8344 | 121.823 |
164 | 2.5341 | -340.8343 | 122.096 |
165 | 2.5441 | -340.8342 | 122.364 |
166 | 2.5541 | -340.8341 | 122.584 |
167 | 2.5642 | -340.8340 | 122.846 |
168 | 2.5742 | -340.8339 | 123.108 |
169 | 2.5842 | -340.8338 | 123.365 |
170 | 2.5942 | -340.8338 | 123.572 |
171 | 2.6043 | -340.8337 | 123.824 |
172 | 2.6143 | -340.8336 | 124.076 |
173 | 2.6243 | -340.8335 | 124.323 |
174 | 2.6343 | -340.8334 | 124.519 |
175 | 2.6444 | -340.8333 | 124.761 |
176 | 2.6544 | -340.8332 | 125.005 |
177 | 2.6644 | -340.8331 | 125.243 |
178 | 2.6744 | -340.8331 | 125.428 |
179 | 2.6845 | -340.8330 | 125.661 |
180 | 2.6945 | -340.8329 | 125.896 |
181 | 2.7045 | -340.8328 | 126.086 |
182 | 2.7145 | -340.8327 | 126.313 |
183 | 2.7246 | -340.8326 | 126.542 |
184 | 2.7346 | -340.8326 | 126.725 |
185 | 2.7446 | -340.8325 | 126.947 |
186 | 2.7546 | -340.8324 | 127.170 |
187 | 2.7647 | -340.8323 | 127.346 |
188 | 2.7747 | -340.8322 | 127.562 |
189 | 2.7847 | -340.8322 | 127.780 |
190 | 2.7947 | -340.8321 | 127.950 |
191 | 2.8048 | -340.8320 | 128.160 |
192 | 2.8148 | -340.8319 | 128.372 |
193 | 2.8248 | -340.8319 | 128.535 |
194 | 2.8348 | -340.8318 | 128.740 |
195 | 2.8449 | -340.8317 | 128.946 |
196 | 2.8549 | -340.8317 | 129.103 |
197 | 2.8649 | -340.8316 | 129.302 |
198 | 2.8749 | -340.8315 | 129.503 |
199 | 2.8850 | -340.8315 | 129.654 |
200 | 2.8950 | -340.8314 | 129.848 |
201 | 2.9050 | -340.8313 | 130.043 |
202 | 2.9150 | -340.8312 | 130.188 |
203 | 2.9251 | -340.8312 | 130.376 |
204 | 2.9351 | -340.8311 | 130.567 |
205 | 2.9451 | -340.8311 | 130.706 |
206 | 2.9551 | -340.8310 | 130.889 |
207 | 2.9652 | -340.8309 | 131.074 |
208 | 2.9752 | -340.8309 | 131.207 |
209 | 2.9852 | -340.8308 | 131.385 |
210 | 2.9952 | -340.8307 | 131.565 |
211 | 3.0053 | -340.8307 | 131.693 |
212 | 3.0153 | -340.8306 | 131.866 |
213 | 3.0253 | -340.8305 | 132.041 |
214 | 3.0353 | -340.8305 | 132.164 |
215 | 3.0454 | -340.8304 | 132.331 |
216 | 3.0554 | -340.8304 | 132.502 |
217 | 3.0654 | -340.8303 | 132.619 |
218 | 3.0754 | -340.8303 | 132.782 |
219 | 3.0855 | -340.8302 | 132.947 |
220 | 3.0955 | -340.8302 | 133.059 |
221 | 3.1055 | -340.8301 | 133.217 |
222 | 3.1155 | -340.8300 | 133.378 |
223 | 3.1256 | -340.8300 | 133.484 |
224 | 3.1356 | -340.8299 | 133.637 |
225 | 3.1456 | -340.8299 | 133.793 |
226 | 3.1556 | -340.8298 | 133.894 |
227 | 3.1657 | -340.8298 | 134.042 |
228 | 3.1757 | -340.8297 | 134.193 |
229 | 3.1857 | -340.8297 | 134.289 |
230 | 3.1957 | -340.8296 | 134.432 |
231 | 3.2058 | -340.8296 | 134.579 |
232 | 3.2158 | -340.8295 | 134.670 |
233 | 3.2258 | -340.8295 | 134.809 |
234 | 3.2358 | -340.8294 | 134.950 |
235 | 3.2459 | -340.8294 | 135.036 |
236 | 3.2559 | -340.8294 | 135.170 |
237 | 3.2659 | -340.8293 | 135.308 |
238 | 3.2759 | -340.8293 | 135.389 |
239 | 3.2860 | -340.8292 | 135.519 |
240 | 3.2960 | -340.8292 | 135.652 |
241 | 3.3060 | -340.8291 | 135.728 |
242 | 3.3160 | -340.8291 | 135.854 |
243 | 3.3261 | -340.8290 | 135.983 |
244 | 3.3361 | -340.8290 | 136.055 |
245 | 3.3461 | -340.8290 | 136.176 |
246 | 3.3561 | -340.8289 | 136.301 |
247 | 3.3662 | -340.8289 | 136.369 |
248 | 3.3762 | -340.8289 | 136.487 |
249 | 3.3862 | -340.8288 | 136.608 |
250 | 3.3962 | -340.8288 | 136.672 |
251 | 3.4063 | -340.8287 | 136.785 |
252 | 3.4163 | -340.8287 | 136.902 |
253 | 3.4263 | -340.8287 | 136.962 |
254 | 3.4363 | -340.8286 | 137.072 |
255 | 3.4464 | -340.8286 | 137.148 |
256 | 3.4564 | -340.8286 | 137.256 |
257 | 3.4664 | -340.8285 | 137.331 |
258 | 3.4764 | -340.8285 | 137.436 |
259 | 3.4865 | -340.8285 | 137.508 |
260 | 3.4965 | -340.8284 | 137.611 |
261 | 3.5065 | -340.8284 | 137.681 |
262 | 3.5165 | -340.8284 | 137.781 |
263 | 3.5266 | -340.8283 | 137.848 |
264 | 3.5366 | -340.8283 | 137.947 |
265 | 3.5466 | -340.8283 | 138.012 |
266 | 3.5566 | -340.8282 | 138.108 |
267 | 3.5667 | -340.8282 | 138.171 |
268 | 3.5767 | -340.8282 | 138.264 |
269 | 3.5867 | -340.8281 | 138.325 |
270 | 3.5967 | -340.8281 | 138.417 |
271 | 3.6068 | -340.8281 | 138.475 |
272 | 3.6168 | -340.8281 | 138.565 |
273 | 3.6268 | -340.8280 | 138.621 |
274 | 3.6368 | -340.8280 | 138.709 |
275 | 3.6469 | -340.8280 | 138.764 |
276 | 3.6569 | -340.8280 | 138.850 |
277 | 3.6669 | -340.8279 | 138.903 |
278 | 3.6769 | -340.8279 | 138.987 |
279 | 3.6870 | -340.8279 | 139.038 |
280 | 3.6970 | -340.8278 | 139.120 |
281 | 3.7070 | -340.8278 | 139.170 |
282 | 3.7170 | -340.8278 | 139.250 |
283 | 3.7271 | -340.8278 | 139.298 |
284 | 3.7371 | -340.8277 | 139.377 |
285 | 3.7471 | -340.8277 | 139.423 |
286 | 3.7571 | -340.8277 | 139.501 |
287 | 3.7672 | -340.8277 | 139.545 |
288 | 3.7772 | -340.8277 | 139.621 |
289 | 3.7872 | -340.8276 | 139.664 |
290 | 3.7972 | -340.8276 | 139.739 |
291 | 3.8073 | -340.8276 | 139.780 |
292 | 3.8173 | -340.8276 | 139.853 |
293 | 3.8273 | -340.8276 | 139.893 |
294 | 3.8373 | -340.8275 | 139.964 |
295 | 3.8474 | -340.8275 | 140.003 |
296 | 3.8574 | -340.8275 | 140.073 |
297 | 3.8674 | -340.8275 | 140.110 |
298 | 3.8774 | -340.8274 | 140.178 |
299 | 3.8875 | -340.8274 | 140.214 |
300 | 3.8975 | -340.8274 | 140.281 |
301 | 3.9075 | -340.8274 | 140.315 |
302 | 3.9175 | -340.8274 | 140.381 |
303 | 3.9276 | -340.8274 | 140.414 |
304 | 3.9376 | -340.8273 | 140.478 |
305 | 3.9476 | -340.8273 | 140.510 |
306 | 3.9576 | -340.8273 | 140.573 |
307 | 3.9677 | -340.8273 | 140.604 |
308 | 3.9777 | -340.8273 | 140.666 |
309 | 3.9877 | -340.8272 | 140.695 |
310 | 3.9977 | -340.8272 | 140.757 |
311 | 4.0078 | -340.8272 | 140.785 |
312 | 4.0178 | -340.8272 | 140.845 |
313 | 4.0278 | -340.8272 | 140.873 |
314 | 4.0378 | -340.8272 | 140.932 |
315 | 4.0479 | -340.8271 | 140.958 |
316 | 4.0579 | -340.8271 | 141.017 |
317 | 4.0679 | -340.8271 | 141.042 |
318 | 4.0779 | -340.8271 | 141.100 |
319 | 4.0880 | -340.8271 | 141.125 |
320 | 4.0980 | -340.8271 | 141.181 |
321 | 4.1080 | -340.8271 | 141.205 |
322 | 4.1180 | -340.8270 | 141.261 |
323 | 4.1281 | -340.8270 | 141.284 |
324 | 4.1381 | -340.8270 | 141.339 |
325 | 4.1481 | -340.8270 | 141.361 |
326 | 4.1581 | -340.8270 | 141.415 |
327 | 4.1682 | -340.8270 | 141.436 |
328 | 4.1782 | -340.8269 | 141.489 |
329 | 4.1882 | -340.8269 | 141.510 |
330 | 4.1982 | -340.8269 | 141.562 |
331 | 4.2083 | -340.8269 | 141.581 |
332 | 4.2183 | -340.8269 | 141.633 |
333 | 4.2283 | -340.8269 | 141.652 |
334 | 4.2383 | -340.8269 | 141.702 |
335 | 4.2484 | -340.8269 | 141.720 |
336 | 4.2584 | -340.8268 | 141.770 |
337 | 4.2684 | -340.8268 | 141.787 |
338 | 4.2784 | -340.8268 | 141.836 |
339 | 4.2885 | -340.8268 | 141.852 |
340 | 4.2985 | -340.8268 | 141.900 |
341 | 4.3085 | -340.8268 | 141.916 |
342 | 4.3185 | -340.8268 | 141.963 |
343 | 4.3286 | -340.8268 | 141.978 |
344 | 4.3386 | -340.8267 | 142.025 |
345 | 4.3486 | -340.8267 | 142.039 |
346 | 4.3586 | -340.8267 | 142.085 |
347 | 4.3687 | -340.8267 | 142.098 |
348 | 4.3787 | -340.8267 | 142.144 |
349 | 4.3887 | -340.8267 | 142.157 |
350 | 4.3987 | -340.8267 | 142.202 |
351 | 4.4088 | -340.8267 | 142.214 |
352 | 4.4188 | -340.8267 | 142.259 |
353 | 4.4288 | -340.8266 | 142.271 |
354 | 4.4388 | -340.8266 | 142.315 |
355 | 4.4489 | -340.8266 | 142.326 |
356 | 4.4589 | -340.8266 | 142.371 |
357 | 4.4689 | -340.8266 | 142.381 |
358 | 4.4789 | -340.8266 | 142.425 |
359 | 4.4890 | -340.8266 | 142.435 |
360 | 4.4990 | -340.8266 | 142.478 |
361 | 4.5090 | -340.8266 | 142.488 |
362 | 4.5190 | -340.8265 | 142.530 |
363 | 4.5291 | -340.8265 | 142.540 |
364 | 4.5391 | -340.8265 | 142.582 |
365 | 4.5491 | -340.8265 | 142.591 |
366 | 4.5591 | -340.8265 | 142.632 |
367 | 4.5692 | -340.8265 | 142.641 |
368 | 4.5792 | -340.8265 | 142.682 |
369 | 4.5892 | -340.8265 | 142.690 |
370 | 4.5992 | -340.8265 | 142.730 |
371 | 4.6093 | -340.8265 | 142.738 |
372 | 4.6193 | -340.8265 | 142.778 |
373 | 4.6293 | -340.8265 | 142.785 |
374 | 4.6393 | -340.8264 | 142.824 |
375 | 4.6494 | -340.8264 | 142.831 |
376 | 4.6594 | -340.8264 | 142.870 |
377 | 4.6694 | -340.8264 | 142.876 |
378 | 4.6794 | -340.8264 | 142.915 |
379 | 4.6895 | -340.8264 | 142.920 |
380 | 4.6995 | -340.8264 | 142.959 |
381 | 4.7095 | -340.8264 | 142.964 |
382 | 4.7195 | -340.8264 | 143.002 |
383 | 4.7296 | -340.8264 | 143.006 |
384 | 4.7396 | -340.8264 | 143.044 |
385 | 4.7496 | -340.8264 | 143.048 |
386 | 4.7596 | -340.8263 | 143.085 |
387 | 4.7697 | -340.8263 | 143.089 |
388 | 4.7797 | -340.8263 | 143.125 |
389 | 4.7897 | -340.8263 | 143.129 |
390 | 4.7997 | -340.8263 | 143.165 |
391 | 4.8098 | -340.8263 | 143.168 |
392 | 4.8198 | -340.8263 | 143.204 |
393 | 4.8298 | -340.8263 | 143.207 |
394 | 4.8398 | -340.8263 | 143.243 |
395 | 4.8499 | -340.8263 | 143.246 |
396 | 4.8599 | -340.8263 | 143.281 |
397 | 4.8699 | -340.8263 | 143.284 |
398 | 4.8799 | -340.8262 | 143.319 |
399 | 4.8900 | -340.8262 | 143.321 |
400 | 4.9000 | -340.8262 | 143.356 |