PhN2+ AcO-
n | d, A | Eh | E, kJ/mol |
54 min | 1.4313 | -569.6195 | 0.000 |
107 max | 1.9627 | -569.5778 | 109.576 |
269 min | 3.5867 | -569.6086 | 28.628 |
n | d, A | Eh | E, kJ/mol |
1 | 0.9000 | -569.1287 | 1288.456 |
2 | 0.9100 | -569.1616 | 1202.156 |
3 | 0.9201 | -569.1925 | 1120.973 |
4 | 0.9301 | -569.2216 | 1044.645 |
5 | 0.9401 | -569.2489 | 972.864 |
6 | 0.9501 | -569.2746 | 905.434 |
7 | 0.9602 | -569.2988 | 842.065 |
8 | 0.9702 | -569.3214 | 782.585 |
9 | 0.9802 | -569.3427 | 726.730 |
10 | 0.9902 | -569.3626 | 674.352 |
11 | 1.0003 | -569.3814 | 625.206 |
12 | 1.0103 | -569.3989 | 579.167 |
13 | 1.0203 | -569.4153 | 536.042 |
14 | 1.0303 | -569.4307 | 495.620 |
15 | 1.0404 | -569.4451 | 457.835 |
16 | 1.0504 | -569.4586 | 422.507 |
17 | 1.0604 | -569.4711 | 389.494 |
18 | 1.0704 | -569.4829 | 358.666 |
19 | 1.0805 | -569.4938 | 329.901 |
20 | 1.0905 | -569.5041 | 303.086 |
21 | 1.1005 | -569.5136 | 278.110 |
22 | 1.1105 | -569.5224 | 254.871 |
23 | 1.1206 | -569.5306 | 233.270 |
24 | 1.1306 | -569.5383 | 213.216 |
25 | 1.1406 | -569.5454 | 194.621 |
26 | 1.1506 | -569.5519 | 177.402 |
27 | 1.1607 | -569.5580 | 161.467 |
28 | 1.1707 | -569.5636 | 146.756 |
29 | 1.1807 | -569.5688 | 133.197 |
30 | 1.1907 | -569.5735 | 120.724 |
31 | 1.2008 | -569.5779 | 109.272 |
32 | 1.2108 | -569.5819 | 98.782 |
33 | 1.2208 | -569.5887 | 80.798 |
34 | 1.2308 | -569.5923 | 71.302 |
35 | 1.2409 | -569.5956 | 62.646 |
36 | 1.2509 | -569.5986 | 54.770 |
37 | 1.2609 | -569.6015 | 47.308 |
38 | 1.2709 | -569.6040 | 40.714 |
39 | 1.2810 | -569.6062 | 34.797 |
40 | 1.2910 | -569.6083 | 29.428 |
41 | 1.3010 | -569.6101 | 24.668 |
42 | 1.3110 | -569.6118 | 20.216 |
43 | 1.3211 | -569.6132 | 16.432 |
44 | 1.3311 | -569.6145 | 13.107 |
45 | 1.3411 | -569.6156 | 10.234 |
46 | 1.3511 | -569.6165 | 7.774 |
47 | 1.3612 | -569.6173 | 5.696 |
48 | 1.3712 | -569.6180 | 3.941 |
49 | 1.3812 | -569.6185 | 2.568 |
50 | 1.3912 | -569.6189 | 1.474 |
51 | 1.4013 | -569.6192 | 0.727 |
52 | 1.4113 | -569.6194 | 0.212 |
53 | 1.4213 | -569.6195 | 0.006 |
54 | 1.4313 | -569.6195 | 0.000 |
55 | 1.4414 | -569.6194 | 0.273 |
56 | 1.4514 | -569.6192 | 0.738 |
57 | 1.4614 | -569.6189 | 1.435 |
58 | 1.4714 | -569.6186 | 2.300 |
59 | 1.4815 | -569.6182 | 3.366 |
60 | 1.4915 | -569.6177 | 4.585 |
61 | 1.5015 | -569.6172 | 5.969 |
62 | 1.5115 | -569.6166 | 7.501 |
63 | 1.5216 | -569.6160 | 9.170 |
64 | 1.5316 | -569.6153 | 10.989 |
65 | 1.5416 | -569.6146 | 12.884 |
66 | 1.5516 | -569.6138 | 14.910 |
67 | 1.5617 | -569.6130 | 17.030 |
68 | 1.5717 | -569.6122 | 19.265 |
69 | 1.5817 | -569.6113 | 21.550 |
70 | 1.5917 | -569.6104 | 23.928 |
71 | 1.6018 | -569.6095 | 26.362 |
72 | 1.6118 | -569.6085 | 28.864 |
73 | 1.6218 | -569.6075 | 31.426 |
74 | 1.6318 | -569.6065 | 34.035 |
75 | 1.6419 | -569.6055 | 36.698 |
76 | 1.6519 | -569.6045 | 39.380 |
77 | 1.6619 | -569.6035 | 42.100 |
78 | 1.6719 | -569.6024 | 44.882 |
79 | 1.6820 | -569.6014 | 47.624 |
80 | 1.6920 | -569.6003 | 50.417 |
81 | 1.7020 | -569.5992 | 53.185 |
82 | 1.7120 | -569.5982 | 55.973 |
83 | 1.7221 | -569.5971 | 58.746 |
84 | 1.7321 | -569.5960 | 61.553 |
85 | 1.7421 | -569.5950 | 64.294 |
86 | 1.7521 | -569.5939 | 67.061 |
87 | 1.7622 | -569.5929 | 69.734 |
88 | 1.7722 | -569.5919 | 72.371 |
89 | 1.7822 | -569.5909 | 74.970 |
90 | 1.7922 | -569.5900 | 77.535 |
91 | 1.8023 | -569.5890 | 80.066 |
92 | 1.8123 | -569.5881 | 82.549 |
93 | 1.8223 | -569.5871 | 84.970 |
94 | 1.8323 | -569.5862 | 87.385 |
95 | 1.8424 | -569.5853 | 89.769 |
96 | 1.8524 | -569.5845 | 91.884 |
97 | 1.8624 | -569.5837 | 94.074 |
98 | 1.8724 | -569.5828 | 96.239 |
99 | 1.8825 | -569.5820 | 98.366 |
100 | 1.8925 | -569.5812 | 100.449 |
101 | 1.9025 | -569.5808 | 101.590 |
102 | 1.9125 | -569.5802 | 103.280 |
103 | 1.9226 | -569.5796 | 104.849 |
104 | 1.9326 | -569.5790 | 106.405 |
105 | 1.9426 | -569.5786 | 107.379 |
106 | 1.9526 | -569.5782 | 108.511 |
107 | 1.9627 | -569.5778 | 109.576 |
108 | 1.9727 | -569.5894 | 78.936 |
109 | 1.9827 | -569.5898 | 77.900 |
110 | 1.9927 | -569.5902 | 76.981 |
111 | 2.0028 | -569.5905 | 76.155 |
112 | 2.0128 | -569.5909 | 75.142 |
113 | 2.0228 | -569.5912 | 74.213 |
114 | 2.0328 | -569.5916 | 73.304 |
115 | 2.0429 | -569.5919 | 72.388 |
116 | 2.0529 | -569.5923 | 71.470 |
117 | 2.0629 | -569.5926 | 70.556 |
118 | 2.0729 | -569.5930 | 69.644 |
119 | 2.0830 | -569.5933 | 68.744 |
120 | 2.0930 | -569.5936 | 67.860 |
121 | 2.1030 | -569.5940 | 66.992 |
122 | 2.1130 | -569.5943 | 66.089 |
123 | 2.1231 | -569.5947 | 65.209 |
124 | 2.1331 | -569.5950 | 64.357 |
125 | 2.1431 | -569.5953 | 63.485 |
126 | 2.1531 | -569.5956 | 62.652 |
127 | 2.1632 | -569.5959 | 61.812 |
128 | 2.1732 | -569.5963 | 60.996 |
129 | 2.1832 | -569.5966 | 60.194 |
130 | 2.1932 | -569.5969 | 59.372 |
131 | 2.2033 | -569.5972 | 58.589 |
132 | 2.2133 | -569.5975 | 57.821 |
133 | 2.2233 | -569.5978 | 57.049 |
134 | 2.2333 | -569.5980 | 56.302 |
135 | 2.2434 | -569.5983 | 55.571 |
136 | 2.2534 | -569.5986 | 54.869 |
137 | 2.2634 | -569.5989 | 54.120 |
138 | 2.2734 | -569.5991 | 53.412 |
139 | 2.2835 | -569.5994 | 52.730 |
140 | 2.2935 | -569.5997 | 52.066 |
141 | 2.3035 | -569.5999 | 51.414 |
142 | 2.3135 | -569.6002 | 50.776 |
143 | 2.3236 | -569.6004 | 50.152 |
144 | 2.3336 | -569.6006 | 49.547 |
145 | 2.3436 | -569.6009 | 48.918 |
146 | 2.3536 | -569.6011 | 48.334 |
147 | 2.3637 | -569.6013 | 47.773 |
148 | 2.3737 | -569.6015 | 47.158 |
149 | 2.3837 | -569.6017 | 46.613 |
150 | 2.3937 | -569.6019 | 46.085 |
151 | 2.4038 | -569.6021 | 45.539 |
152 | 2.4138 | -569.6023 | 45.031 |
153 | 2.4238 | -569.6025 | 44.546 |
154 | 2.4338 | -569.6027 | 44.011 |
155 | 2.4439 | -569.6029 | 43.540 |
156 | 2.4539 | -569.6031 | 43.087 |
157 | 2.4639 | -569.6033 | 42.615 |
158 | 2.4739 | -569.6034 | 42.180 |
159 | 2.4840 | -569.6036 | 41.763 |
160 | 2.4940 | -569.6037 | 41.335 |
161 | 2.5040 | -569.6039 | 40.929 |
162 | 2.5140 | -569.6041 | 40.533 |
163 | 2.5241 | -569.6042 | 40.148 |
164 | 2.5341 | -569.6043 | 39.773 |
165 | 2.5441 | -569.6045 | 39.408 |
166 | 2.5541 | -569.6046 | 38.972 |
167 | 2.5642 | -569.6048 | 38.620 |
168 | 2.5742 | -569.6049 | 38.271 |
169 | 2.5842 | -569.6050 | 37.946 |
170 | 2.5942 | -569.6052 | 37.634 |
171 | 2.6043 | -569.6053 | 37.332 |
172 | 2.6143 | -569.6054 | 37.006 |
173 | 2.6243 | -569.6055 | 36.718 |
174 | 2.6343 | -569.6056 | 36.443 |
175 | 2.6444 | -569.6057 | 36.175 |
176 | 2.6544 | -569.6058 | 35.879 |
177 | 2.6644 | -569.6059 | 35.622 |
178 | 2.6744 | -569.6060 | 35.378 |
179 | 2.6845 | -569.6061 | 35.141 |
180 | 2.6945 | -569.6062 | 34.875 |
181 | 2.7045 | -569.6063 | 34.648 |
182 | 2.7145 | -569.6064 | 34.433 |
183 | 2.7246 | -569.6065 | 34.194 |
184 | 2.7346 | -569.6065 | 33.988 |
185 | 2.7446 | -569.6066 | 33.792 |
186 | 2.7546 | -569.6067 | 33.603 |
187 | 2.7647 | -569.6068 | 33.418 |
188 | 2.7747 | -569.6068 | 33.238 |
189 | 2.7847 | -569.6069 | 33.064 |
190 | 2.7947 | -569.6070 | 32.899 |
191 | 2.8048 | -569.6070 | 32.739 |
192 | 2.8148 | -569.6071 | 32.584 |
193 | 2.8248 | -569.6071 | 32.434 |
194 | 2.8348 | -569.6072 | 32.288 |
195 | 2.8449 | -569.6072 | 32.146 |
196 | 2.8549 | -569.6073 | 32.009 |
197 | 2.8649 | -569.6074 | 31.876 |
198 | 2.8749 | -569.6074 | 31.748 |
199 | 2.8850 | -569.6074 | 31.623 |
200 | 2.8950 | -569.6075 | 31.503 |
201 | 2.9050 | -569.6075 | 31.386 |
202 | 2.9150 | -569.6076 | 31.273 |
203 | 2.9251 | -569.6076 | 31.164 |
204 | 2.9351 | -569.6077 | 31.058 |
205 | 2.9451 | -569.6077 | 30.956 |
206 | 2.9551 | -569.6077 | 30.857 |
207 | 2.9652 | -569.6078 | 30.762 |
208 | 2.9752 | -569.6078 | 30.670 |
209 | 2.9852 | -569.6078 | 30.581 |
210 | 2.9952 | -569.6079 | 30.495 |
211 | 3.0053 | -569.6079 | 30.412 |
212 | 3.0153 | -569.6079 | 30.332 |
213 | 3.0253 | -569.6080 | 30.255 |
214 | 3.0353 | -569.6080 | 30.080 |
215 | 3.0454 | -569.6081 | 30.001 |
216 | 3.0554 | -569.6081 | 29.925 |
217 | 3.0654 | -569.6081 | 29.849 |
218 | 3.0754 | -569.6082 | 29.778 |
219 | 3.0855 | -569.6082 | 29.712 |
220 | 3.0955 | -569.6082 | 29.649 |
221 | 3.1055 | -569.6082 | 29.590 |
222 | 3.1155 | -569.6082 | 29.533 |
223 | 3.1256 | -569.6083 | 29.478 |
224 | 3.1356 | -569.6083 | 29.427 |
225 | 3.1456 | -569.6083 | 29.377 |
226 | 3.1556 | -569.6083 | 29.330 |
227 | 3.1657 | -569.6083 | 29.285 |
228 | 3.1757 | -569.6084 | 29.241 |
229 | 3.1857 | -569.6084 | 29.200 |
230 | 3.1957 | -569.6084 | 29.161 |
231 | 3.2058 | -569.6084 | 29.123 |
232 | 3.2158 | -569.6084 | 29.094 |
233 | 3.2258 | -569.6084 | 29.066 |
234 | 3.2358 | -569.6084 | 29.039 |
235 | 3.2459 | -569.6084 | 29.013 |
236 | 3.2559 | -569.6085 | 28.987 |
237 | 3.2659 | -569.6085 | 28.963 |
238 | 3.2759 | -569.6085 | 28.939 |
239 | 3.2860 | -569.6085 | 28.917 |
240 | 3.2960 | -569.6085 | 28.896 |
241 | 3.3060 | -569.6085 | 28.875 |
242 | 3.3160 | -569.6085 | 28.856 |
243 | 3.3261 | -569.6085 | 28.837 |
244 | 3.3361 | -569.6085 | 28.819 |
245 | 3.3461 | -569.6085 | 28.802 |
246 | 3.3561 | -569.6085 | 28.786 |
247 | 3.3662 | -569.6085 | 28.771 |
248 | 3.3762 | -569.6085 | 28.756 |
249 | 3.3862 | -569.6085 | 28.743 |
250 | 3.3962 | -569.6085 | 28.730 |
251 | 3.4063 | -569.6086 | 28.718 |
252 | 3.4163 | -569.6086 | 28.707 |
253 | 3.4263 | -569.6086 | 28.697 |
254 | 3.4363 | -569.6086 | 28.688 |
255 | 3.4464 | -569.6086 | 28.679 |
256 | 3.4564 | -569.6086 | 28.671 |
257 | 3.4664 | -569.6086 | 28.664 |
258 | 3.4764 | -569.6086 | 28.658 |
259 | 3.4865 | -569.6086 | 28.652 |
260 | 3.4965 | -569.6086 | 28.647 |
261 | 3.5065 | -569.6086 | 28.643 |
262 | 3.5165 | -569.6086 | 28.639 |
263 | 3.5266 | -569.6086 | 28.636 |
264 | 3.5366 | -569.6086 | 28.634 |
265 | 3.5466 | -569.6086 | 28.632 |
266 | 3.5566 | -569.6086 | 28.630 |
267 | 3.5667 | -569.6086 | 28.629 |
268 | 3.5767 | -569.6086 | 28.628 |
269 | 3.5867 | -569.6086 | 28.628 |
270 | 3.5967 | -569.6086 | 28.628 |
271 | 3.6068 | -569.6086 | 28.628 |
272 | 3.6168 | -569.6086 | 28.629 |
273 | 3.6268 | -569.6086 | 28.630 |
274 | 3.6368 | -569.6086 | 28.631 |
275 | 3.6469 | -569.6086 | 28.633 |
276 | 3.6569 | -569.6086 | 28.634 |
277 | 3.6669 | -569.6086 | 28.636 |
278 | 3.6769 | -569.6086 | 28.638 |
279 | 3.6870 | -569.6086 | 28.639 |
280 | 3.6970 | -569.6086 | 28.641 |
281 | 3.7070 | -569.6086 | 28.635 |
282 | 3.7170 | -569.6086 | 28.630 |
283 | 3.7271 | -569.6086 | 28.641 |
284 | 3.7371 | -569.6086 | 28.651 |
285 | 3.7471 | -569.6086 | 28.661 |
286 | 3.7571 | -569.6086 | 28.636 |
287 | 3.7672 | -569.6086 | 28.642 |
288 | 3.7772 | -569.6086 | 28.631 |
289 | 3.7872 | -569.6086 | 28.640 |
290 | 3.7972 | -569.6086 | 28.633 |
291 | 3.8073 | -569.6086 | 28.642 |
292 | 3.8173 | -569.6086 | 28.638 |
293 | 3.8273 | -569.6086 | 28.648 |
294 | 3.8373 | -569.6086 | 28.645 |
295 | 3.8474 | -569.6086 | 28.644 |
296 | 3.8574 | -569.6086 | 28.644 |
297 | 3.8674 | -569.6086 | 28.645 |
298 | 3.8774 | -569.6086 | 28.646 |
299 | 3.8875 | -569.6086 | 28.648 |
300 | 3.8975 | -569.6086 | 28.663 |
301 | 3.9075 | -569.6086 | 28.663 |
302 | 3.9175 | -569.6086 | 28.679 |
303 | 3.9276 | -569.6086 | 28.677 |
304 | 3.9376 | -569.6086 | 28.694 |
305 | 3.9476 | -569.6086 | 28.712 |
306 | 3.9576 | -569.6085 | 28.730 |
307 | 3.9677 | -569.6085 | 28.746 |
308 | 3.9777 | -569.6086 | 28.723 |
309 | 3.9877 | -569.6085 | 28.736 |
310 | 3.9977 | -569.6085 | 28.755 |
311 | 4.0078 | -569.6085 | 28.773 |
312 | 4.0178 | -569.6085 | 28.749 |
313 | 4.0278 | -569.6085 | 28.761 |
314 | 4.0378 | -569.6085 | 28.780 |
315 | 4.0479 | -569.6085 | 28.798 |
316 | 4.0579 | -569.6085 | 28.772 |
317 | 4.0679 | -569.6085 | 28.784 |
318 | 4.0779 | -569.6085 | 28.803 |
319 | 4.0880 | -569.6085 | 28.788 |
320 | 4.0980 | -569.6085 | 28.800 |
321 | 4.1080 | -569.6085 | 28.791 |
322 | 4.1180 | -569.6085 | 28.804 |
323 | 4.1281 | -569.6084 | 29.022 |
324 | 4.1381 | -569.6085 | 28.812 |
325 | 4.1481 | -569.6085 | 28.828 |
326 | 4.1581 | -569.6085 | 28.819 |
327 | 4.1682 | -569.6085 | 28.832 |
328 | 4.1782 | -569.6085 | 28.827 |
329 | 4.1882 | -569.6085 | 28.840 |
330 | 4.1982 | -569.6085 | 28.836 |
331 | 4.2083 | -569.6085 | 28.850 |
332 | 4.2183 | -569.6085 | 28.847 |
333 | 4.2283 | -569.6085 | 28.860 |
334 | 4.2383 | -569.6085 | 28.857 |
335 | 4.2484 | -569.6085 | 28.871 |
336 | 4.2584 | -569.6085 | 28.869 |
337 | 4.2684 | -569.6086 | 28.530 |
338 | 4.2784 | -569.6086 | 28.527 |
339 | 4.2885 | -569.6086 | 28.526 |
340 | 4.2985 | -569.6086 | 28.518 |
341 | 4.3085 | -569.6086 | 28.523 |
342 | 4.3185 | -569.6086 | 28.522 |
343 | 4.3286 | -569.6086 | 28.530 |
344 | 4.3386 | -569.6086 | 28.529 |
345 | 4.3486 | -569.6086 | 28.538 |
346 | 4.3586 | -569.6086 | 28.550 |
347 | 4.3687 | -569.6086 | 28.544 |
348 | 4.3787 | -569.6086 | 28.554 |
349 | 4.3887 | -569.6086 | 28.567 |
350 | 4.3987 | -569.6086 | 28.557 |
351 | 4.4088 | -569.6086 | 28.567 |
352 | 4.4188 | -569.6086 | 28.580 |
353 | 4.4288 | -569.6086 | 28.567 |
354 | 4.4388 | -569.6086 | 28.577 |
355 | 4.4489 | -569.6086 | 28.590 |
356 | 4.4589 | -569.6086 | 28.602 |
357 | 4.4689 | -569.6086 | 28.614 |
358 | 4.4789 | -569.6086 | 28.590 |
359 | 4.4890 | -569.6086 | 28.599 |
360 | 4.4990 | -569.6086 | 28.612 |
361 | 4.5090 | -569.6086 | 28.625 |
362 | 4.5190 | -569.6086 | 28.636 |
363 | 4.5291 | -569.6086 | 28.607 |
364 | 4.5391 | -569.6086 | 28.616 |
365 | 4.5491 | -569.6086 | 28.629 |
366 | 4.5591 | -569.6086 | 28.642 |
367 | 4.5692 | -569.6086 | 28.653 |
368 | 4.5792 | -569.6086 | 28.664 |
369 | 4.5892 | -569.6086 | 28.628 |
370 | 4.5992 | -569.6086 | 28.636 |
371 | 4.6093 | -569.6086 | 28.649 |
372 | 4.6193 | -569.6086 | 28.661 |
373 | 4.6293 | -569.6086 | 28.672 |
374 | 4.6393 | -569.6086 | 28.682 |
375 | 4.6494 | -569.6086 | 28.691 |
376 | 4.6594 | -569.6086 | 28.650 |
377 | 4.6694 | -569.6086 | 28.656 |
378 | 4.6794 | -569.6086 | 28.668 |
379 | 4.6895 | -569.6086 | 28.679 |
380 | 4.6995 | -569.6086 | 28.689 |
381 | 4.7095 | -569.6086 | 28.653 |
382 | 4.7195 | -569.6086 | 28.660 |
383 | 4.7296 | -569.6086 | 28.671 |
384 | 4.7396 | -569.6086 | 28.682 |
385 | 4.7496 | -569.6086 | 28.692 |
386 | 4.7596 | -569.6086 | 28.701 |
387 | 4.7697 | -569.6086 | 28.661 |
388 | 4.7797 | -569.6086 | 28.659 |
389 | 4.7897 | -569.6086 | 28.664 |
390 | 4.7997 | -569.6086 | 28.670 |
391 | 4.8098 | -569.6086 | 28.673 |
392 | 4.8198 | -569.6086 | 28.675 |
393 | 4.8298 | -569.6086 | 28.677 |
394 | 4.8398 | -569.6086 | 28.679 |
395 | 4.8499 | -569.6086 | 28.681 |
396 | 4.8599 | -569.6086 | 28.682 |
397 | 4.8699 | -569.6086 | 28.684 |
398 | 4.8799 | -569.6086 | 28.685 |
399 | 4.8900 | -569.6086 | 28.685 |
400 | 4.9000 | -569.6086 | 28.686 |