PhN2+ HCOO-
n | d, A | Eh | E, kJ/mol |
43 min | 1.3211 | -1040.7806 | 36.369 |
54 max | 1.4313 | -1040.7732 | 55.636 |
55 min | 1.4414 | -1040.7944 | 0.000 |
145 max | 2.3436 | -1040.7553 | 102.832 |
263 min | 3.5266 | -1040.7685 | 68.066 |
n | d, A | Eh | E, kJ/mol |
1 | 0.9000 | -1040.3448 | 1180.612 |
2 | 0.9100 | -1040.3767 | 1096.729 |
3 | 0.9201 | -1040.4067 | 1017.960 |
4 | 0.9301 | -1040.4349 | 943.968 |
5 | 0.9401 | -1040.4613 | 874.579 |
6 | 0.9501 | -1040.4861 | 809.544 |
7 | 0.9602 | -1040.5094 | 748.415 |
8 | 0.9702 | -1040.5311 | 691.282 |
9 | 0.9802 | -1040.5515 | 637.832 |
10 | 0.9902 | -1040.5705 | 587.869 |
11 | 1.0003 | -1040.5883 | 541.155 |
12 | 1.0103 | -1040.6049 | 497.581 |
13 | 1.0203 | -1040.6204 | 456.906 |
14 | 1.0303 | -1040.6348 | 419.041 |
15 | 1.0404 | -1040.6483 | 383.781 |
16 | 1.0504 | -1040.6607 | 351.021 |
17 | 1.0604 | -1040.6723 | 320.579 |
18 | 1.0704 | -1040.6831 | 292.371 |
19 | 1.0805 | -1040.6930 | 266.230 |
20 | 1.0905 | -1040.7022 | 242.081 |
21 | 1.1005 | -1040.7107 | 219.777 |
22 | 1.1105 | -1040.7185 | 199.247 |
23 | 1.1206 | -1040.7257 | 180.360 |
24 | 1.1306 | -1040.7323 | 163.055 |
25 | 1.1406 | -1040.7384 | 147.209 |
26 | 1.1506 | -1040.7439 | 132.770 |
27 | 1.1607 | -1040.7489 | 119.647 |
28 | 1.1707 | -1040.7534 | 107.733 |
29 | 1.1807 | -1040.7575 | 97.007 |
30 | 1.1907 | -1040.7611 | 87.379 |
31 | 1.2008 | -1040.7644 | 78.781 |
32 | 1.2108 | -1040.7673 | 71.151 |
33 | 1.2208 | -1040.7699 | 64.430 |
34 | 1.2308 | -1040.7721 | 58.564 |
35 | 1.2409 | -1040.7740 | 53.501 |
36 | 1.2509 | -1040.7757 | 49.190 |
37 | 1.2609 | -1040.7771 | 45.584 |
38 | 1.2709 | -1040.7782 | 42.637 |
39 | 1.2810 | -1040.7791 | 40.308 |
40 | 1.2910 | -1040.7797 | 38.555 |
41 | 1.3010 | -1040.7802 | 37.338 |
42 | 1.3110 | -1040.7805 | 36.622 |
43 | 1.3211 | -1040.7806 | 36.369 |
44 | 1.3311 | -1040.7805 | 36.548 |
45 | 1.3411 | -1040.7803 | 37.124 |
46 | 1.3511 | -1040.7799 | 38.069 |
47 | 1.3612 | -1040.7794 | 39.352 |
48 | 1.3712 | -1040.7788 | 40.947 |
49 | 1.3812 | -1040.7781 | 42.825 |
50 | 1.3912 | -1040.7773 | 44.963 |
51 | 1.4013 | -1040.7764 | 47.336 |
52 | 1.4113 | -1040.7754 | 49.920 |
53 | 1.4213 | -1040.7744 | 52.694 |
54 | 1.4313 | -1040.7732 | 55.636 |
55 | 1.4414 | -1040.7944 | 0.000 |
56 | 1.4514 | -1040.7940 | 0.998 |
57 | 1.4614 | -1040.7936 | 2.154 |
58 | 1.4714 | -1040.7931 | 3.434 |
59 | 1.4815 | -1040.7926 | 4.855 |
60 | 1.4915 | -1040.7920 | 6.366 |
61 | 1.5015 | -1040.7914 | 7.811 |
62 | 1.5115 | -1040.7908 | 9.482 |
63 | 1.5216 | -1040.7901 | 11.244 |
64 | 1.5316 | -1040.7894 | 13.085 |
65 | 1.5416 | -1040.7887 | 14.991 |
66 | 1.5516 | -1040.7880 | 16.921 |
67 | 1.5617 | -1040.7872 | 18.920 |
68 | 1.5717 | -1040.7866 | 20.621 |
69 | 1.5817 | -1040.7858 | 22.651 |
70 | 1.5917 | -1040.7850 | 24.719 |
71 | 1.6018 | -1040.7842 | 26.817 |
72 | 1.6118 | -1040.7834 | 28.939 |
73 | 1.6218 | -1040.7826 | 31.078 |
74 | 1.6318 | -1040.7818 | 33.230 |
75 | 1.6419 | -1040.7809 | 35.389 |
76 | 1.6519 | -1040.7801 | 37.550 |
77 | 1.6619 | -1040.7793 | 39.710 |
78 | 1.6719 | -1040.7785 | 41.866 |
79 | 1.6820 | -1040.7777 | 44.012 |
80 | 1.6920 | -1040.7769 | 46.090 |
81 | 1.7020 | -1040.7761 | 48.203 |
82 | 1.7120 | -1040.7753 | 50.309 |
83 | 1.7221 | -1040.7745 | 52.396 |
84 | 1.7321 | -1040.7737 | 54.458 |
85 | 1.7421 | -1040.7729 | 56.426 |
86 | 1.7521 | -1040.7722 | 58.420 |
87 | 1.7622 | -1040.7714 | 60.397 |
88 | 1.7722 | -1040.7707 | 62.345 |
89 | 1.7822 | -1040.7700 | 64.160 |
90 | 1.7922 | -1040.7693 | 66.007 |
91 | 1.8023 | -1040.7686 | 67.837 |
92 | 1.8123 | -1040.7682 | 68.829 |
93 | 1.8223 | -1040.7675 | 70.573 |
94 | 1.8323 | -1040.7669 | 72.290 |
95 | 1.8424 | -1040.7663 | 73.969 |
96 | 1.8524 | -1040.7656 | 75.564 |
97 | 1.8624 | -1040.7650 | 77.150 |
98 | 1.8724 | -1040.7644 | 78.699 |
99 | 1.8825 | -1040.7639 | 80.145 |
100 | 1.8925 | -1040.7634 | 81.538 |
101 | 1.9025 | -1040.7628 | 82.906 |
102 | 1.9125 | -1040.7624 | 84.210 |
103 | 1.9226 | -1040.7619 | 85.382 |
104 | 1.9326 | -1040.7615 | 86.553 |
105 | 1.9426 | -1040.7610 | 87.685 |
106 | 1.9526 | -1040.7606 | 88.767 |
107 | 1.9627 | -1040.7602 | 89.780 |
108 | 1.9727 | -1040.7599 | 90.618 |
109 | 1.9827 | -1040.7596 | 91.512 |
110 | 1.9927 | -1040.7592 | 92.375 |
111 | 2.0028 | -1040.7589 | 93.186 |
112 | 2.0128 | -1040.7586 | 93.954 |
113 | 2.0228 | -1040.7584 | 94.668 |
114 | 2.0328 | -1040.7581 | 95.336 |
115 | 2.0429 | -1040.7579 | 95.982 |
116 | 2.0529 | -1040.7576 | 96.576 |
117 | 2.0629 | -1040.7574 | 97.134 |
118 | 2.0729 | -1040.7572 | 97.650 |
119 | 2.0830 | -1040.7570 | 98.159 |
120 | 2.0930 | -1040.7569 | 98.593 |
121 | 2.1030 | -1040.7567 | 98.985 |
122 | 2.1130 | -1040.7566 | 99.378 |
123 | 2.1231 | -1040.7564 | 99.758 |
124 | 2.1331 | -1040.7563 | 100.114 |
125 | 2.1431 | -1040.7562 | 100.398 |
126 | 2.1531 | -1040.7561 | 100.695 |
127 | 2.1632 | -1040.7560 | 100.975 |
128 | 2.1732 | -1040.7559 | 101.233 |
129 | 2.1832 | -1040.7558 | 101.410 |
130 | 2.1932 | -1040.7557 | 101.618 |
131 | 2.2033 | -1040.7556 | 101.813 |
132 | 2.2133 | -1040.7556 | 101.991 |
133 | 2.2233 | -1040.7555 | 102.073 |
134 | 2.2333 | -1040.7555 | 102.203 |
135 | 2.2434 | -1040.7555 | 102.326 |
136 | 2.2534 | -1040.7554 | 102.385 |
137 | 2.2634 | -1040.7554 | 102.478 |
138 | 2.2734 | -1040.7554 | 102.562 |
139 | 2.2835 | -1040.7553 | 102.634 |
140 | 2.2935 | -1040.7553 | 102.695 |
141 | 2.3035 | -1040.7553 | 102.744 |
142 | 2.3135 | -1040.7553 | 102.782 |
143 | 2.3236 | -1040.7553 | 102.809 |
144 | 2.3336 | -1040.7553 | 102.825 |
145 | 2.3436 | -1040.7553 | 102.832 |
146 | 2.3536 | -1040.7553 | 102.829 |
147 | 2.3637 | -1040.7553 | 102.817 |
148 | 2.3737 | -1040.7553 | 102.797 |
149 | 2.3837 | -1040.7624 | 84.155 |
150 | 2.3937 | -1040.7626 | 83.596 |
151 | 2.4038 | -1040.7628 | 83.123 |
152 | 2.4138 | -1040.7630 | 82.617 |
153 | 2.4238 | -1040.7631 | 82.161 |
154 | 2.4338 | -1040.7633 | 81.723 |
155 | 2.4439 | -1040.7635 | 81.292 |
156 | 2.4539 | -1040.7636 | 80.875 |
157 | 2.4639 | -1040.7638 | 80.461 |
158 | 2.4739 | -1040.7639 | 80.065 |
159 | 2.4840 | -1040.7641 | 79.682 |
160 | 2.4940 | -1040.7642 | 79.309 |
161 | 2.5040 | -1040.7644 | 78.945 |
162 | 2.5140 | -1040.7645 | 78.590 |
163 | 2.5241 | -1040.7646 | 78.244 |
164 | 2.5341 | -1040.7648 | 77.906 |
165 | 2.5441 | -1040.7649 | 77.577 |
166 | 2.5541 | -1040.7650 | 77.257 |
167 | 2.5642 | -1040.7651 | 76.945 |
168 | 2.5742 | -1040.7652 | 76.641 |
169 | 2.5842 | -1040.7653 | 76.346 |
170 | 2.5942 | -1040.7655 | 76.060 |
171 | 2.6043 | -1040.7656 | 75.726 |
172 | 2.6143 | -1040.7657 | 75.453 |
173 | 2.6243 | -1040.7658 | 75.196 |
174 | 2.6343 | -1040.7659 | 74.927 |
175 | 2.6444 | -1040.7660 | 74.682 |
176 | 2.6544 | -1040.7661 | 74.448 |
177 | 2.6644 | -1040.7662 | 74.220 |
178 | 2.6744 | -1040.7662 | 74.002 |
179 | 2.6845 | -1040.7663 | 73.791 |
180 | 2.6945 | -1040.7664 | 73.586 |
181 | 2.7045 | -1040.7665 | 73.386 |
182 | 2.7145 | -1040.7665 | 73.192 |
183 | 2.7246 | -1040.7666 | 73.004 |
184 | 2.7346 | -1040.7667 | 72.821 |
185 | 2.7446 | -1040.7668 | 72.643 |
186 | 2.7546 | -1040.7668 | 72.470 |
187 | 2.7647 | -1040.7669 | 72.303 |
188 | 2.7747 | -1040.7669 | 72.140 |
189 | 2.7847 | -1040.7670 | 71.983 |
190 | 2.7947 | -1040.7671 | 71.830 |
191 | 2.8048 | -1040.7671 | 71.682 |
192 | 2.8148 | -1040.7672 | 71.539 |
193 | 2.8248 | -1040.7672 | 71.400 |
194 | 2.8348 | -1040.7673 | 71.266 |
195 | 2.8449 | -1040.7673 | 71.135 |
196 | 2.8549 | -1040.7674 | 71.009 |
197 | 2.8649 | -1040.7674 | 70.888 |
198 | 2.8749 | -1040.7675 | 70.666 |
199 | 2.8850 | -1040.7676 | 70.546 |
200 | 2.8950 | -1040.7676 | 70.428 |
201 | 2.9050 | -1040.7676 | 70.313 |
202 | 2.9150 | -1040.7677 | 70.204 |
203 | 2.9251 | -1040.7677 | 70.100 |
204 | 2.9351 | -1040.7678 | 70.002 |
205 | 2.9451 | -1040.7678 | 69.907 |
206 | 2.9551 | -1040.7678 | 69.817 |
207 | 2.9652 | -1040.7679 | 69.730 |
208 | 2.9752 | -1040.7679 | 69.646 |
209 | 2.9852 | -1040.7679 | 69.565 |
210 | 2.9952 | -1040.7680 | 69.487 |
211 | 3.0053 | -1040.7680 | 69.413 |
212 | 3.0153 | -1040.7680 | 69.341 |
213 | 3.0253 | -1040.7680 | 69.272 |
214 | 3.0353 | -1040.7681 | 69.205 |
215 | 3.0454 | -1040.7681 | 69.141 |
216 | 3.0554 | -1040.7681 | 69.080 |
217 | 3.0654 | -1040.7681 | 69.021 |
218 | 3.0754 | -1040.7682 | 68.964 |
219 | 3.0855 | -1040.7682 | 68.910 |
220 | 3.0955 | -1040.7682 | 68.858 |
221 | 3.1055 | -1040.7682 | 68.808 |
222 | 3.1155 | -1040.7682 | 68.761 |
223 | 3.1256 | -1040.7683 | 68.715 |
224 | 3.1356 | -1040.7683 | 68.672 |
225 | 3.1456 | -1040.7683 | 68.631 |
226 | 3.1556 | -1040.7683 | 68.591 |
227 | 3.1657 | -1040.7683 | 68.554 |
228 | 3.1757 | -1040.7683 | 68.519 |
229 | 3.1857 | -1040.7683 | 68.485 |
230 | 3.1957 | -1040.7684 | 68.453 |
231 | 3.2058 | -1040.7684 | 68.423 |
232 | 3.2158 | -1040.7684 | 68.395 |
233 | 3.2258 | -1040.7684 | 68.368 |
234 | 3.2358 | -1040.7684 | 68.343 |
235 | 3.2459 | -1040.7684 | 68.319 |
236 | 3.2559 | -1040.7684 | 68.296 |
237 | 3.2659 | -1040.7684 | 68.275 |
238 | 3.2759 | -1040.7684 | 68.255 |
239 | 3.2860 | -1040.7684 | 68.237 |
240 | 3.2960 | -1040.7684 | 68.219 |
241 | 3.3060 | -1040.7684 | 68.203 |
242 | 3.3160 | -1040.7685 | 68.188 |
243 | 3.3261 | -1040.7685 | 68.174 |
244 | 3.3361 | -1040.7685 | 68.162 |
245 | 3.3461 | -1040.7685 | 68.150 |
246 | 3.3561 | -1040.7685 | 68.139 |
247 | 3.3662 | -1040.7685 | 68.129 |
248 | 3.3762 | -1040.7685 | 68.120 |
249 | 3.3862 | -1040.7685 | 68.112 |
250 | 3.3962 | -1040.7685 | 68.104 |
251 | 3.4063 | -1040.7685 | 68.098 |
252 | 3.4163 | -1040.7685 | 68.092 |
253 | 3.4263 | -1040.7685 | 68.087 |
254 | 3.4363 | -1040.7685 | 68.083 |
255 | 3.4464 | -1040.7685 | 68.080 |
256 | 3.4564 | -1040.7685 | 68.078 |
257 | 3.4664 | -1040.7685 | 68.076 |
258 | 3.4764 | -1040.7685 | 68.084 |
259 | 3.4865 | -1040.7685 | 68.095 |
260 | 3.4965 | -1040.7685 | 68.068 |
261 | 3.5065 | -1040.7685 | 68.075 |
262 | 3.5165 | -1040.7685 | 68.088 |
263 | 3.5266 | -1040.7685 | 68.066 |
264 | 3.5366 | -1040.7685 | 68.075 |
265 | 3.5466 | -1040.7685 | 68.092 |
266 | 3.5566 | -1040.7685 | 68.069 |
267 | 3.5667 | -1040.7685 | 68.080 |
268 | 3.5767 | -1040.7685 | 68.098 |
269 | 3.5867 | -1040.7685 | 68.077 |
270 | 3.5967 | -1040.7685 | 68.088 |
271 | 3.6068 | -1040.7685 | 68.107 |
272 | 3.6168 | -1040.7685 | 68.089 |
273 | 3.6268 | -1040.7685 | 68.102 |
274 | 3.6368 | -1040.7685 | 68.122 |
275 | 3.6469 | -1040.7685 | 68.105 |
276 | 3.6569 | -1040.7685 | 68.119 |
277 | 3.6669 | -1040.7685 | 68.139 |
278 | 3.6769 | -1040.7685 | 68.122 |
279 | 3.6870 | -1040.7685 | 68.137 |
280 | 3.6970 | -1040.7685 | 68.158 |
281 | 3.7070 | -1040.7685 | 68.142 |
282 | 3.7170 | -1040.7685 | 68.157 |
283 | 3.7271 | -1040.7685 | 68.179 |
284 | 3.7371 | -1040.7685 | 68.163 |
285 | 3.7471 | -1040.7685 | 68.178 |
286 | 3.7571 | -1040.7684 | 68.200 |
287 | 3.7672 | -1040.7685 | 68.185 |
288 | 3.7772 | -1040.7684 | 68.200 |
289 | 3.7872 | -1040.7684 | 68.222 |
290 | 3.7972 | -1040.7684 | 68.208 |
291 | 3.8073 | -1040.7684 | 68.223 |
292 | 3.8173 | -1040.7684 | 68.218 |
293 | 3.8273 | -1040.7684 | 68.234 |
294 | 3.8373 | -1040.7684 | 68.231 |
295 | 3.8474 | -1040.7684 | 68.249 |
296 | 3.8574 | -1040.7684 | 68.247 |
297 | 3.8674 | -1040.7684 | 68.264 |
298 | 3.8774 | -1040.7684 | 68.263 |
299 | 3.8875 | -1040.7684 | 68.281 |
300 | 3.8975 | -1040.7684 | 68.280 |
301 | 3.9075 | -1040.7684 | 68.298 |
302 | 3.9175 | -1040.7684 | 68.298 |
303 | 3.9276 | -1040.7684 | 68.316 |
304 | 3.9376 | -1040.7684 | 68.316 |
305 | 3.9476 | -1040.7684 | 68.334 |
306 | 3.9576 | -1040.7684 | 68.334 |
307 | 3.9677 | -1040.7684 | 68.351 |
308 | 3.9777 | -1040.7684 | 68.351 |
309 | 3.9877 | -1040.7684 | 68.370 |
310 | 3.9977 | -1040.7684 | 68.370 |
311 | 4.0078 | -1040.7684 | 68.388 |
312 | 4.0178 | -1040.7684 | 68.389 |
313 | 4.0278 | -1040.7684 | 68.407 |
314 | 4.0378 | -1040.7684 | 68.408 |
315 | 4.0479 | -1040.7684 | 68.426 |
316 | 4.0579 | -1040.7684 | 68.426 |
317 | 4.0679 | -1040.7684 | 68.445 |
318 | 4.0779 | -1040.7684 | 68.445 |
319 | 4.0880 | -1040.7683 | 68.464 |
320 | 4.0980 | -1040.7683 | 68.464 |
321 | 4.1080 | -1040.7683 | 68.482 |
322 | 4.1180 | -1040.7683 | 68.483 |
323 | 4.1281 | -1040.7683 | 68.501 |
324 | 4.1381 | -1040.7683 | 68.502 |
325 | 4.1481 | -1040.7683 | 68.520 |
326 | 4.1581 | -1040.7683 | 68.520 |
327 | 4.1682 | -1040.7683 | 68.538 |
328 | 4.1782 | -1040.7683 | 68.539 |
329 | 4.1882 | -1040.7683 | 68.557 |
330 | 4.1982 | -1040.7683 | 68.558 |
331 | 4.2083 | -1040.7683 | 68.575 |
332 | 4.2183 | -1040.7683 | 68.576 |
333 | 4.2283 | -1040.7683 | 68.593 |
334 | 4.2383 | -1040.7683 | 68.593 |
335 | 4.2484 | -1040.7683 | 68.594 |
336 | 4.2584 | -1040.7683 | 68.609 |
337 | 4.2684 | -1040.7683 | 68.613 |
338 | 4.2784 | -1040.7683 | 68.615 |
339 | 4.2885 | -1040.7683 | 68.630 |
340 | 4.2985 | -1040.7683 | 68.633 |
341 | 4.3085 | -1040.7683 | 68.643 |
342 | 4.3185 | -1040.7683 | 68.624 |
343 | 4.3286 | -1040.7683 | 68.624 |
344 | 4.3386 | -1040.7688 | 67.213 |
345 | 4.3486 | -1040.7688 | 67.202 |
346 | 4.3586 | -1040.7688 | 67.197 |
347 | 4.3687 | -1040.7688 | 67.194 |
348 | 4.3787 | -1040.7688 | 67.192 |
349 | 4.3887 | -1040.7688 | 67.192 |
350 | 4.3987 | -1040.7688 | 67.193 |
351 | 4.4088 | -1040.7688 | 67.191 |
352 | 4.4188 | -1040.7688 | 67.190 |
353 | 4.4288 | -1040.7688 | 67.190 |
354 | 4.4388 | -1040.7688 | 67.192 |
355 | 4.4489 | -1040.7688 | 67.194 |
356 | 4.4589 | -1040.7688 | 67.196 |
357 | 4.4689 | -1040.7688 | 67.199 |
358 | 4.4789 | -1040.7688 | 67.203 |
359 | 4.4890 | -1040.7688 | 67.207 |
360 | 4.4990 | -1040.7688 | 67.211 |
361 | 4.5090 | -1040.7688 | 67.216 |
362 | 4.5190 | -1040.7688 | 67.221 |
363 | 4.5291 | -1040.7688 | 67.223 |
364 | 4.5391 | -1040.7688 | 67.229 |
365 | 4.5491 | -1040.7688 | 67.237 |
366 | 4.5591 | -1040.7688 | 67.245 |
367 | 4.5692 | -1040.7688 | 67.253 |
368 | 4.5792 | -1040.7688 | 67.262 |
369 | 4.5892 | -1040.7688 | 67.271 |
370 | 4.5992 | -1040.7688 | 67.280 |
371 | 4.6093 | -1040.7688 | 67.290 |
372 | 4.6193 | -1040.7688 | 67.299 |
373 | 4.6293 | -1040.7688 | 67.309 |
374 | 4.6393 | -1040.7688 | 67.318 |
375 | 4.6494 | -1040.7688 | 67.328 |
376 | 4.6594 | -1040.7688 | 67.337 |
377 | 4.6694 | -1040.7688 | 67.347 |
378 | 4.6794 | -1040.7688 | 67.357 |
379 | 4.6895 | -1040.7688 | 67.367 |
380 | 4.6995 | -1040.7688 | 67.376 |
381 | 4.7095 | -1040.7688 | 67.386 |
382 | 4.7195 | -1040.7688 | 67.396 |
383 | 4.7296 | -1040.7688 | 67.406 |
384 | 4.7396 | -1040.7687 | 67.416 |
385 | 4.7496 | -1040.7687 | 67.426 |
386 | 4.7596 | -1040.7687 | 67.436 |
387 | 4.7697 | -1040.7687 | 67.446 |
388 | 4.7797 | -1040.7687 | 67.456 |
389 | 4.7897 | -1040.7687 | 67.466 |
390 | 4.7997 | -1040.7687 | 67.477 |
391 | 4.8098 | -1040.7687 | 67.487 |
392 | 4.8198 | -1040.7687 | 67.498 |
393 | 4.8298 | -1040.7687 | 67.508 |
394 | 4.8398 | -1040.7687 | 67.519 |
395 | 4.8499 | -1040.7687 | 67.530 |
396 | 4.8599 | -1040.7687 | 67.541 |
397 | 4.8699 | -1040.7687 | 67.552 |
398 | 4.8799 | -1040.7687 | 67.563 |
399 | 4.8900 | -1040.7687 | 67.574 |
400 | 4.9000 | -1040.7687 | 67.585 |