4-NO2PhN2+ HSO4-
n | d, A | Eh | E, kJ/mol |
44 min | 1.3311 | -1245.3154 | 277.273 |
58 max | 1.4714 | -1245.3043 | 306.275 |
59 min | 1.4815 | -1245.3205 | 263.816 |
97 max | 1.8624 | -1245.2920 | 338.517 |
n | d, A | Eh | E, kJ/mol |
1 | 0.9000 | -1244.8748 | 1433.894 |
2 | 0.9100 | -1244.9071 | 1349.250 |
3 | 0.9201 | -1244.9373 | 1269.798 |
4 | 0.9301 | -1244.9657 | 1195.236 |
5 | 0.9401 | -1244.9924 | 1125.295 |
6 | 0.9501 | -1245.0173 | 1059.828 |
7 | 0.9602 | -1245.0407 | 998.304 |
8 | 0.9702 | -1245.0627 | 940.777 |
9 | 0.9802 | -1245.0831 | 886.980 |
10 | 0.9902 | -1245.1023 | 836.618 |
11 | 1.0003 | -1245.1202 | 789.629 |
12 | 1.0103 | -1245.1370 | 745.668 |
13 | 1.0203 | -1245.1526 | 704.713 |
14 | 1.0303 | -1245.1671 | 666.565 |
15 | 1.0404 | -1245.1807 | 630.975 |
16 | 1.0504 | -1245.1932 | 597.922 |
17 | 1.0604 | -1245.2049 | 567.263 |
18 | 1.0704 | -1245.2158 | 538.705 |
19 | 1.0805 | -1245.2258 | 512.314 |
20 | 1.0905 | -1245.2351 | 487.900 |
21 | 1.1005 | -1245.2437 | 465.328 |
22 | 1.1105 | -1245.2517 | 444.544 |
23 | 1.1206 | -1245.2589 | 425.425 |
24 | 1.1306 | -1245.2656 | 407.852 |
25 | 1.1406 | -1245.2718 | 391.782 |
26 | 1.1506 | -1245.2773 | 377.094 |
27 | 1.1607 | -1245.2824 | 363.736 |
28 | 1.1707 | -1245.2871 | 351.620 |
29 | 1.1807 | -1245.2912 | 340.651 |
30 | 1.1907 | -1245.2950 | 330.802 |
31 | 1.2008 | -1245.2983 | 321.991 |
32 | 1.2108 | -1245.3013 | 314.131 |
33 | 1.2208 | -1245.3040 | 307.212 |
34 | 1.2308 | -1245.3063 | 301.128 |
35 | 1.2409 | -1245.3083 | 295.871 |
36 | 1.2509 | -1245.3100 | 291.406 |
37 | 1.2609 | -1245.3114 | 287.561 |
38 | 1.2709 | -1245.3126 | 284.434 |
39 | 1.2810 | -1245.3136 | 281.932 |
40 | 1.2910 | -1245.3143 | 279.973 |
41 | 1.3010 | -1245.3149 | 278.589 |
42 | 1.3110 | -1245.3152 | 277.684 |
43 | 1.3211 | -1245.3154 | 277.273 |
44 | 1.3311 | -1245.3154 | 277.273 |
45 | 1.3411 | -1245.3152 | 277.698 |
46 | 1.3511 | -1245.3149 | 278.468 |
47 | 1.3612 | -1245.3145 | 279.609 |
48 | 1.3712 | -1245.3139 | 281.034 |
49 | 1.3812 | -1245.3133 | 282.776 |
50 | 1.3912 | -1245.3128 | 284.040 |
51 | 1.4013 | -1245.3120 | 286.204 |
52 | 1.4113 | -1245.3111 | 288.576 |
53 | 1.4213 | -1245.3101 | 291.164 |
54 | 1.4313 | -1245.3090 | 293.905 |
55 | 1.4414 | -1245.3079 | 296.794 |
56 | 1.4514 | -1245.3068 | 299.851 |
57 | 1.4614 | -1245.3056 | 302.995 |
58 | 1.4714 | -1245.3043 | 306.275 |
59 | 1.4815 | -1245.3205 | 263.816 |
60 | 1.4915 | -1245.3201 | 264.798 |
61 | 1.5015 | -1245.3196 | 266.093 |
62 | 1.5115 | -1245.3191 | 267.469 |
63 | 1.5216 | -1245.3185 | 268.996 |
64 | 1.5316 | -1245.3179 | 270.633 |
65 | 1.5416 | -1245.3173 | 272.324 |
66 | 1.5516 | -1245.3166 | 274.130 |
67 | 1.5617 | -1245.3159 | 275.984 |
68 | 1.5717 | -1245.3151 | 277.920 |
69 | 1.5817 | -1245.3144 | 279.924 |
70 | 1.5917 | -1245.3136 | 281.941 |
71 | 1.6018 | -1245.3128 | 284.044 |
72 | 1.6118 | -1245.3120 | 286.151 |
73 | 1.6218 | -1245.3112 | 288.315 |
74 | 1.6318 | -1245.3103 | 290.520 |
75 | 1.6419 | -1245.3095 | 292.694 |
76 | 1.6519 | -1245.3086 | 294.922 |
77 | 1.6619 | -1245.3078 | 297.176 |
78 | 1.6719 | -1245.3070 | 299.371 |
79 | 1.6820 | -1245.3061 | 301.621 |
80 | 1.6920 | -1245.3052 | 303.899 |
81 | 1.7020 | -1245.3044 | 306.078 |
82 | 1.7120 | -1245.3035 | 308.315 |
83 | 1.7221 | -1245.3027 | 310.550 |
84 | 1.7321 | -1245.3019 | 312.705 |
85 | 1.7421 | -1245.3010 | 314.899 |
86 | 1.7521 | -1245.3002 | 317.000 |
87 | 1.7622 | -1245.2994 | 319.165 |
88 | 1.7722 | -1245.2986 | 321.250 |
89 | 1.7822 | -1245.2978 | 323.348 |
90 | 1.7922 | -1245.2970 | 325.425 |
91 | 1.8023 | -1245.2963 | 327.418 |
92 | 1.8123 | -1245.2955 | 329.425 |
93 | 1.8223 | -1245.2948 | 331.189 |
94 | 1.8323 | -1245.2941 | 333.095 |
95 | 1.8424 | -1245.2934 | 334.917 |
96 | 1.8524 | -1245.2927 | 336.735 |
97 | 1.8624 | -1245.2920 | 338.517 |
98 | 1.8724 | -1245.2954 | 329.782 |
99 | 1.8825 | -1245.3543 | 174.969 |
100 | 1.8925 | -1245.3558 | 171.155 |
101 | 1.9025 | -1245.3572 | 167.371 |
102 | 1.9125 | -1245.3586 | 163.641 |
103 | 1.9226 | -1245.3600 | 159.965 |
104 | 1.9326 | -1245.3614 | 156.304 |
105 | 1.9426 | -1245.3628 | 152.709 |
106 | 1.9526 | -1245.3642 | 149.168 |
107 | 1.9627 | -1245.3655 | 145.654 |
108 | 1.9727 | -1245.3668 | 142.205 |
109 | 1.9827 | -1245.3681 | 138.811 |
110 | 1.9927 | -1245.3694 | 135.445 |
111 | 2.0028 | -1245.3706 | 132.149 |
112 | 2.0128 | -1245.3719 | 128.910 |
113 | 2.0228 | -1245.3730 | 126.019 |
114 | 2.0328 | -1245.3743 | 122.564 |
115 | 2.0429 | -1245.3755 | 119.479 |
116 | 2.0529 | -1245.3766 | 116.446 |
117 | 2.0629 | -1245.3777 | 113.501 |
118 | 2.0729 | -1245.3789 | 110.533 |
119 | 2.0830 | -1245.3800 | 107.663 |
120 | 2.0930 | -1245.3810 | 104.848 |
121 | 2.1030 | -1245.3821 | 102.076 |
122 | 2.1130 | -1245.3831 | 99.374 |
123 | 2.1231 | -1245.3841 | 96.708 |
124 | 2.1331 | -1245.3851 | 94.107 |
125 | 2.1431 | -1245.3861 | 91.560 |
126 | 2.1531 | -1245.3871 | 89.065 |
127 | 2.1632 | -1245.3880 | 86.637 |
128 | 2.1732 | -1245.3889 | 84.226 |
129 | 2.1832 | -1245.3898 | 81.889 |
130 | 2.1932 | -1245.3907 | 79.609 |
131 | 2.2033 | -1245.3915 | 77.360 |
132 | 2.2133 | -1245.3923 | 75.176 |
133 | 2.2233 | -1245.3932 | 73.043 |
134 | 2.2333 | -1245.3940 | 70.949 |
135 | 2.2434 | -1245.3947 | 68.913 |
136 | 2.2534 | -1245.3955 | 66.963 |
137 | 2.2634 | -1245.3962 | 64.978 |
138 | 2.2734 | -1245.3969 | 63.084 |
139 | 2.2835 | -1245.3977 | 61.237 |
140 | 2.2935 | -1245.3983 | 59.430 |
141 | 2.3035 | -1245.3990 | 57.692 |
142 | 2.3135 | -1245.3997 | 55.956 |
143 | 2.3236 | -1245.4003 | 54.287 |
144 | 2.3336 | -1245.4009 | 52.662 |
145 | 2.3436 | -1245.4015 | 51.073 |
146 | 2.3536 | -1245.4021 | 49.552 |
147 | 2.3637 | -1245.4027 | 48.025 |
148 | 2.3737 | -1245.4032 | 46.563 |
149 | 2.3837 | -1245.4038 | 45.140 |
150 | 2.3937 | -1245.4043 | 43.769 |
151 | 2.4038 | -1245.4048 | 42.403 |
152 | 2.4138 | -1245.4053 | 41.093 |
153 | 2.4238 | -1245.4058 | 39.819 |
154 | 2.4338 | -1245.4063 | 38.583 |
155 | 2.4439 | -1245.4067 | 37.370 |
156 | 2.4539 | -1245.4072 | 36.201 |
157 | 2.4639 | -1245.4076 | 35.074 |
158 | 2.4739 | -1245.4080 | 33.955 |
159 | 2.4840 | -1245.4085 | 32.884 |
160 | 2.4940 | -1245.4088 | 31.848 |
161 | 2.5040 | -1245.4092 | 30.826 |
162 | 2.5140 | -1245.4096 | 29.845 |
163 | 2.5241 | -1245.4100 | 28.897 |
164 | 2.5341 | -1245.4103 | 27.963 |
165 | 2.5441 | -1245.4107 | 27.068 |
166 | 2.5541 | -1245.4110 | 26.210 |
167 | 2.5642 | -1245.4113 | 25.350 |
168 | 2.5742 | -1245.4116 | 24.533 |
169 | 2.5842 | -1245.4119 | 23.741 |
170 | 2.5942 | -1245.4122 | 22.996 |
171 | 2.6043 | -1245.4125 | 22.221 |
172 | 2.6143 | -1245.4128 | 21.500 |
173 | 2.6243 | -1245.4131 | 20.801 |
174 | 2.6343 | -1245.4133 | 20.155 |
175 | 2.6444 | -1245.4136 | 19.459 |
176 | 2.6544 | -1245.4138 | 18.824 |
177 | 2.6644 | -1245.4140 | 18.215 |
178 | 2.6744 | -1245.4143 | 17.603 |
179 | 2.6845 | -1245.4145 | 17.027 |
180 | 2.6945 | -1245.4147 | 16.480 |
181 | 2.7045 | -1245.4149 | 15.918 |
182 | 2.7145 | -1245.4151 | 15.395 |
183 | 2.7246 | -1245.4153 | 14.889 |
184 | 2.7346 | -1245.4155 | 14.388 |
185 | 2.7446 | -1245.4157 | 13.934 |
186 | 2.7546 | -1245.4159 | 13.448 |
187 | 2.7647 | -1245.4160 | 13.005 |
188 | 2.7747 | -1245.4162 | 12.577 |
189 | 2.7847 | -1245.4163 | 12.184 |
190 | 2.7947 | -1245.4165 | 11.747 |
191 | 2.8048 | -1245.4166 | 11.361 |
192 | 2.8148 | -1245.4168 | 10.987 |
193 | 2.8248 | -1245.4169 | 10.663 |
194 | 2.8348 | -1245.4171 | 10.260 |
195 | 2.8449 | -1245.4172 | 9.923 |
196 | 2.8549 | -1245.4173 | 9.597 |
197 | 2.8649 | -1245.4174 | 9.263 |
198 | 2.8749 | -1245.4176 | 8.959 |
199 | 2.8850 | -1245.4177 | 8.673 |
200 | 2.8950 | -1245.4178 | 8.371 |
201 | 2.9050 | -1245.4179 | 8.099 |
202 | 2.9150 | -1245.4180 | 7.864 |
203 | 2.9251 | -1245.4181 | 7.567 |
204 | 2.9351 | -1245.4182 | 7.322 |
205 | 2.9451 | -1245.4183 | 7.092 |
206 | 2.9551 | -1245.4184 | 6.838 |
207 | 2.9652 | -1245.4185 | 6.619 |
208 | 2.9752 | -1245.4185 | 6.387 |
209 | 2.9852 | -1245.4186 | 6.182 |
210 | 2.9952 | -1245.4187 | 6.003 |
211 | 3.0053 | -1245.4188 | 5.778 |
212 | 3.0153 | -1245.4188 | 5.595 |
213 | 3.0253 | -1245.4189 | 5.422 |
214 | 3.0353 | -1245.4190 | 5.225 |
215 | 3.0454 | -1245.4190 | 5.062 |
216 | 3.0554 | -1245.4191 | 4.887 |
217 | 3.0654 | -1245.4192 | 4.768 |
218 | 3.0754 | -1245.4192 | 4.571 |
219 | 3.0855 | -1245.4193 | 4.440 |
220 | 3.0955 | -1245.4193 | 4.280 |
221 | 3.1055 | -1245.4194 | 4.146 |
222 | 3.1155 | -1245.4194 | 4.011 |
223 | 3.1256 | -1245.4195 | 3.887 |
224 | 3.1356 | -1245.4195 | 3.761 |
225 | 3.1456 | -1245.4196 | 3.645 |
226 | 3.1556 | -1245.4196 | 3.526 |
227 | 3.1657 | -1245.4197 | 3.426 |
228 | 3.1757 | -1245.4197 | 3.308 |
229 | 3.1857 | -1245.4198 | 3.217 |
230 | 3.1957 | -1245.4198 | 3.105 |
231 | 3.2058 | -1245.4198 | 3.027 |
232 | 3.2158 | -1245.4199 | 2.916 |
233 | 3.2258 | -1245.4199 | 2.831 |
234 | 3.2358 | -1245.4199 | 2.741 |
235 | 3.2459 | -1245.4200 | 2.664 |
236 | 3.2559 | -1245.4200 | 2.579 |
237 | 3.2659 | -1245.4200 | 2.510 |
238 | 3.2759 | -1245.4201 | 2.427 |
239 | 3.2860 | -1245.4201 | 2.354 |
240 | 3.2960 | -1245.4201 | 2.289 |
241 | 3.3060 | -1245.4201 | 2.217 |
242 | 3.3160 | -1245.4202 | 2.157 |
243 | 3.3261 | -1245.4200 | 2.507 |
244 | 3.3361 | -1245.4202 | 2.038 |
245 | 3.3461 | -1245.4202 | 1.993 |
246 | 3.3561 | -1245.4202 | 1.920 |
247 | 3.3662 | -1245.4203 | 1.895 |
248 | 3.3762 | -1245.4203 | 1.816 |
249 | 3.3862 | -1245.4203 | 1.773 |
250 | 3.3962 | -1245.4203 | 1.719 |
251 | 3.4063 | -1245.4203 | 1.738 |
252 | 3.4163 | -1245.4204 | 1.634 |
253 | 3.4263 | -1245.4204 | 1.613 |
254 | 3.4363 | -1245.4204 | 1.548 |
255 | 3.4464 | -1245.4204 | 1.531 |
256 | 3.4564 | -1245.4204 | 1.470 |
257 | 3.4664 | -1245.4204 | 1.475 |
258 | 3.4764 | -1245.4204 | 1.397 |
259 | 3.4865 | -1245.4205 | 1.368 |
260 | 3.4965 | -1245.4205 | 1.331 |
261 | 3.5065 | -1245.4205 | 1.307 |
262 | 3.5165 | -1245.4205 | 1.270 |
263 | 3.5266 | -1245.4205 | 1.244 |
264 | 3.5366 | -1245.4204 | 1.409 |
265 | 3.5466 | -1245.4205 | 1.188 |
266 | 3.5566 | -1245.4205 | 1.164 |
267 | 3.5667 | -1245.4205 | 1.130 |
268 | 3.5767 | -1245.4206 | 1.112 |
269 | 3.5867 | -1245.4206 | 1.078 |
270 | 3.5967 | -1245.4204 | 1.455 |
271 | 3.6068 | -1245.4206 | 1.034 |
272 | 3.6168 | -1245.4206 | 1.022 |
273 | 3.6268 | -1245.4206 | 0.982 |
274 | 3.6368 | -1245.4206 | 1.010 |
275 | 3.6469 | -1245.4206 | 0.946 |
276 | 3.6569 | -1245.4206 | 0.984 |
277 | 3.6669 | -1245.4206 | 0.904 |
278 | 3.6769 | -1245.4206 | 0.902 |
279 | 3.6870 | -1245.4206 | 0.860 |
280 | 3.6970 | -1245.4207 | 0.853 |
281 | 3.7070 | -1245.4207 | 0.818 |
282 | 3.7170 | -1245.4207 | 0.809 |
283 | 3.7271 | -1245.4207 | 0.780 |
284 | 3.7371 | -1245.4207 | 0.773 |
285 | 3.7471 | -1245.4207 | 0.744 |
286 | 3.7571 | -1245.4207 | 0.737 |
287 | 3.7672 | -1245.4207 | 0.751 |
288 | 3.7772 | -1245.4207 | 0.705 |
289 | 3.7872 | -1245.4207 | 0.701 |
290 | 3.7972 | -1245.4207 | 0.669 |
291 | 3.8073 | -1245.4207 | 0.676 |
292 | 3.8173 | -1245.4207 | 0.643 |
293 | 3.8273 | -1245.4207 | 0.639 |
294 | 3.8373 | -1245.4207 | 0.654 |
295 | 3.8474 | -1245.4207 | 0.607 |
296 | 3.8574 | -1245.4207 | 0.604 |
297 | 3.8674 | -1245.4207 | 0.622 |
298 | 3.8774 | -1245.4208 | 0.572 |
299 | 3.8875 | -1245.4208 | 0.569 |
300 | 3.8975 | -1245.4208 | 0.588 |
301 | 3.9075 | -1245.4208 | 0.538 |
302 | 3.9175 | -1245.4208 | 0.536 |
303 | 3.9276 | -1245.4208 | 0.555 |
304 | 3.9376 | -1245.4208 | 0.504 |
305 | 3.9476 | -1245.4208 | 0.503 |
306 | 3.9576 | -1245.4208 | 0.525 |
307 | 3.9677 | -1245.4208 | 0.473 |
308 | 3.9777 | -1245.4208 | 0.472 |
309 | 3.9877 | -1245.4208 | 0.489 |
310 | 3.9977 | -1245.4208 | 0.441 |
311 | 4.0078 | -1245.4208 | 0.441 |
312 | 4.0178 | -1245.4208 | 0.465 |
313 | 4.0278 | -1245.4208 | 0.413 |
314 | 4.0378 | -1245.4208 | 0.413 |
315 | 4.0479 | -1245.4208 | 0.432 |
316 | 4.0579 | -1245.4208 | 0.385 |
317 | 4.0679 | -1245.4208 | 0.386 |
318 | 4.0779 | -1245.4208 | 0.413 |
319 | 4.0880 | -1245.4208 | 0.361 |
320 | 4.0980 | -1245.4208 | 0.362 |
321 | 4.1080 | -1245.4208 | 0.381 |
322 | 4.1180 | -1245.4208 | 0.337 |
323 | 4.1281 | -1245.4208 | 0.339 |
324 | 4.1381 | -1245.4208 | 0.368 |
325 | 4.1481 | -1245.4209 | 0.316 |
326 | 4.1581 | -1245.4209 | 0.319 |
327 | 4.1682 | -1245.4208 | 0.340 |
328 | 4.1782 | -1245.4209 | 0.296 |
329 | 4.1882 | -1245.4209 | 0.300 |
330 | 4.1982 | -1245.4208 | 0.332 |
331 | 4.2083 | -1245.4209 | 0.280 |
332 | 4.2183 | -1245.4209 | 0.284 |
333 | 4.2283 | -1245.4209 | 0.304 |
334 | 4.2383 | -1245.4209 | 0.262 |
335 | 4.2484 | -1245.4209 | 0.267 |
336 | 4.2584 | -1245.4209 | 0.302 |
337 | 4.2684 | -1245.4209 | 0.248 |
338 | 4.2784 | -1245.4209 | 0.253 |
339 | 4.2885 | -1245.4209 | 0.272 |
340 | 4.2985 | -1245.4209 | 0.232 |
341 | 4.3085 | -1245.4209 | 0.237 |
342 | 4.3185 | -1245.4209 | 0.277 |
343 | 4.3286 | -1245.4209 | 0.219 |
344 | 4.3386 | -1245.4209 | 0.225 |
345 | 4.3486 | -1245.4209 | 0.237 |
346 | 4.3586 | -1245.4209 | 0.198 |
347 | 4.3687 | -1245.4209 | 0.198 |
348 | 4.3787 | -1245.4209 | 0.212 |
349 | 4.3887 | -1245.4209 | 0.178 |
350 | 4.3987 | -1245.4209 | 0.179 |
351 | 4.4088 | -1245.4209 | 0.194 |
352 | 4.4188 | -1245.4209 | 0.161 |
353 | 4.4288 | -1245.4209 | 0.162 |
354 | 4.4388 | -1245.4209 | 0.178 |
355 | 4.4489 | -1245.4209 | 0.145 |
356 | 4.4589 | -1245.4209 | 0.147 |
357 | 4.4689 | -1245.4209 | 0.164 |
358 | 4.4789 | -1245.4209 | 0.131 |
359 | 4.4890 | -1245.4209 | 0.134 |
360 | 4.4990 | -1245.4209 | 0.149 |
361 | 4.5090 | -1245.4209 | 0.119 |
362 | 4.5190 | -1245.4209 | 0.122 |
363 | 4.5291 | -1245.4209 | 0.141 |
364 | 4.5391 | -1245.4209 | 0.108 |
365 | 4.5491 | -1245.4209 | 0.111 |
366 | 4.5591 | -1245.4209 | 0.128 |
367 | 4.5692 | -1245.4209 | 0.098 |
368 | 4.5792 | -1245.4209 | 0.102 |
369 | 4.5892 | -1245.4209 | 0.121 |
370 | 4.5992 | -1245.4209 | 0.089 |
371 | 4.6093 | -1245.4209 | 0.093 |
372 | 4.6193 | -1245.4209 | 0.074 |
373 | 4.6293 | -1245.4209 | 0.076 |
374 | 4.6393 | -1245.4209 | 0.090 |
375 | 4.6494 | -1245.4209 | 0.069 |
376 | 4.6594 | -1245.4209 | 0.073 |
377 | 4.6694 | -1245.4210 | 0.057 |
378 | 4.6794 | -1245.4210 | 0.060 |
379 | 4.6895 | -1245.4210 | 0.049 |
380 | 4.6995 | -1245.4210 | 0.052 |
381 | 4.7095 | -1245.4210 | 0.041 |
382 | 4.7195 | -1245.4210 | 0.044 |
383 | 4.7296 | -1245.4210 | 0.034 |
384 | 4.7396 | -1245.4210 | 0.037 |
385 | 4.7496 | -1245.4210 | 0.028 |
386 | 4.7596 | -1245.4210 | 0.031 |
387 | 4.7697 | -1245.4210 | 0.022 |
388 | 4.7797 | -1245.4210 | 0.025 |
389 | 4.7897 | -1245.4210 | 0.016 |
390 | 4.7997 | -1245.4210 | 0.020 |
391 | 4.8098 | -1245.4210 | 0.012 |
392 | 4.8198 | -1245.4210 | 0.016 |
393 | 4.8298 | -1245.4210 | 0.008 |
394 | 4.8398 | -1245.4210 | 0.012 |
395 | 4.8499 | -1245.4210 | 0.005 |
396 | 4.8599 | -1245.4210 | 0.009 |
397 | 4.8699 | -1245.4210 | 0.002 |
398 | 4.8799 | -1245.4210 | 0.007 |
399 | 4.8900 | -1245.4210 | 0.000 |
400 | 4.9000 | -1245.4210 | 0.005 |