4-NO2PhN2+

n d, A Eh E, kJ/mol
50 min 1.3912 -545.3952 0.000

n d, A Eh E, kJ/mol
1 0.9000 -544.9096 1274.826
2 0.9100 -544.9430 1187.079
3 0.9201 -544.9745 1104.547
4 0.9301 -545.0040 1026.920
5 0.9401 -545.0318 953.957
6 0.9501 -545.0579 885.384
7 0.9602 -545.0825 820.978
8 0.9702 -545.1055 760.527
9 0.9802 -545.1271 703.774
10 0.9902 -545.1474 650.526
11 1.0003 -545.1664 600.614
12 1.0103 -545.1842 553.874
13 1.0203 -545.2009 510.056
14 1.0303 -545.2165 469.073
15 1.0404 -545.2311 430.763
16 1.0504 -545.2447 394.928
17 1.0604 -545.2575 361.474
18 1.0704 -545.2694 330.261
19 1.0805 -545.2805 301.174
20 1.0905 -545.2908 274.090
21 1.1005 -545.3004 248.873
22 1.1105 -545.3093 225.457
23 1.1206 -545.3176 203.715
24 1.1306 -545.3252 183.572
25 1.1406 -545.3323 164.931
26 1.1506 -545.3389 147.692
27 1.1607 -545.3450 131.797
28 1.1707 -545.3505 117.165
29 1.1807 -545.3557 103.721
30 1.1907 -545.3604 91.403
31 1.2008 -545.3647 80.111
32 1.2108 -545.3686 69.833
33 1.2208 -545.3721 60.495
34 1.2308 -545.3754 52.009
35 1.2409 -545.3783 44.368
36 1.2509 -545.3809 37.509
37 1.2609 -545.3832 31.354
38 1.2709 -545.3853 25.899
39 1.2810 -545.3871 21.091
40 1.2910 -545.3887 16.859
41 1.3010 -545.3901 13.205
42 1.3110 -545.3913 10.080
43 1.3211 -545.3923 7.422
44 1.3311 -545.3932 5.235
45 1.3411 -545.3938 3.480
46 1.3511 -545.3944 2.094
47 1.3612 -545.3947 1.091
48 1.3712 -545.3950 0.431
49 1.3812 -545.3951 0.063
50 1.3912 -545.3952 0.000
51 1.4013 -545.3951 0.210
52 1.4113 -545.3949 0.638
53 1.4213 -545.3947 1.308
54 1.4313 -545.3943 2.189
55 1.4414 -545.3939 3.227
56 1.4514 -545.3935 4.453
57 1.4614 -545.3929 5.836
58 1.4714 -545.3924 7.329
59 1.4815 -545.3918 8.962
60 1.4915 -545.3911 10.713
61 1.5015 -545.3904 12.524
62 1.5115 -545.3897 14.440
63 1.5216 -545.3889 16.431
64 1.5316 -545.3881 18.458
65 1.5416 -545.3873 20.555
66 1.5516 -545.3865 22.706
67 1.5617 -545.3857 24.851
68 1.5717 -545.3849 27.046
69 1.5817 -545.3840 29.264
70 1.5917 -545.3832 31.467
71 1.6018 -545.3823 33.695
72 1.6118 -545.3815 35.939
73 1.6218 -545.3806 38.130
74 1.6318 -545.3798 40.341
75 1.6419 -545.3790 42.540
76 1.6519 -545.3781 44.695
77 1.6619 -545.3773 46.850
78 1.6719 -545.3765 48.999
79 1.6820 -545.3757 51.068
80 1.6920 -545.3749 53.140
81 1.7020 -545.3741 55.185
82 1.7120 -545.3734 57.169
83 1.7221 -545.3726 59.141
84 1.7321 -545.3719 61.101
85 1.7421 -545.3712 62.962
86 1.7521 -545.3705 64.823
87 1.7622 -545.3698 66.649
88 1.7722 -545.3691 68.411
89 1.7822 -545.3684 70.156
90 1.7922 -545.3678 71.892
91 1.8023 -545.3672 73.514
92 1.8123 -545.3665 75.141
93 1.8223 -545.3659 76.733
94 1.8323 -545.3654 78.262
95 1.8424 -545.3648 79.774
96 1.8524 -545.3642 81.280
97 1.8624 -545.3637 82.674
98 1.8724 -545.3631 84.075
99 1.8825 -545.3626 85.443
100 1.8925 -545.3621 86.753
101 1.9025 -545.3616 88.049
102 1.9125 -545.3611 89.351
103 1.9226 -545.3607 90.529
104 1.9326 -545.3602 91.727
105 1.9426 -545.3598 92.893
106 1.9526 -545.3594 94.010
107 1.9627 -545.3589 95.114
108 1.9727 -545.3585 96.207
109 1.9827 -545.3581 97.229
110 1.9927 -545.3577 98.249
111 2.0028 -545.3574 99.244
112 2.0128 -545.3570 100.195
113 2.0228 -545.3566 101.137
114 2.0328 -545.3563 102.098
115 2.0429 -545.3560 102.938
116 2.0529 -545.3556 103.809
117 2.0629 -545.3553 104.658
118 2.0729 -545.3550 105.469
119 2.0830 -545.3547 106.275
120 2.0930 -545.3544 107.096
121 2.1030 -545.3541 107.817
122 2.1130 -545.3538 108.564
123 2.1231 -545.3535 109.293
124 2.1331 -545.3533 109.990
125 2.1431 -545.3530 110.684
126 2.1531 -545.3527 111.405
127 2.1632 -545.3525 112.013
128 2.1732 -545.3523 112.658
129 2.1832 -545.3520 113.290
130 2.1932 -545.3518 113.894
131 2.2033 -545.3516 114.496
132 2.2133 -545.3513 115.114
133 2.2233 -545.3511 115.654
134 2.2333 -545.3509 116.216
135 2.2434 -545.3507 116.768
136 2.2534 -545.3505 117.301
137 2.2634 -545.3503 117.834
138 2.2734 -545.3501 118.341
139 2.2835 -545.3499 118.848
140 2.2935 -545.3497 119.346
141 2.3035 -545.3495 119.827
142 2.3135 -545.3493 120.310
143 2.3236 -545.3492 120.771
144 2.3336 -545.3490 121.232
145 2.3436 -545.3488 121.691
146 2.3536 -545.3487 122.124
147 2.3637 -545.3485 122.560
148 2.3737 -545.3483 122.996
149 2.3837 -545.3482 123.407
150 2.3937 -545.3480 123.828
151 2.4038 -545.3478 124.252
152 2.4138 -545.3477 124.632
153 2.4238 -545.3475 125.037
154 2.4338 -545.3474 125.471
155 2.4439 -545.3472 125.802
156 2.4539 -545.3471 126.191
157 2.4639 -545.3470 126.587
158 2.4739 -545.3468 126.914
159 2.4840 -545.3467 127.288
160 2.4940 -545.3465 127.697
161 2.5040 -545.3464 127.986
162 2.5140 -545.3463 128.345
163 2.5241 -545.3461 128.715
164 2.5341 -545.3460 129.008
165 2.5441 -545.3459 129.354
166 2.5541 -545.3457 129.741
167 2.5642 -545.3457 129.997
168 2.5742 -545.3455 130.332
169 2.5842 -545.3454 130.678
170 2.5942 -545.3453 130.942
171 2.6043 -545.3452 131.265
172 2.6143 -545.3451 131.546
173 2.6243 -545.3449 131.858
174 2.6343 -545.3448 132.171
175 2.6444 -545.3447 132.437
176 2.6544 -545.3446 132.740
177 2.6644 -545.3445 133.014
178 2.6744 -545.3444 133.309
179 2.6845 -545.3443 133.605
180 2.6945 -545.3442 133.855
181 2.7045 -545.3441 134.140
182 2.7145 -545.3440 134.428
183 2.7246 -545.3439 134.666
184 2.7346 -545.3438 134.943
185 2.7446 -545.3436 135.264
186 2.7546 -545.3436 135.461
187 2.7647 -545.3435 135.733
188 2.7747 -545.3434 136.019
189 2.7847 -545.3433 136.218
190 2.7947 -545.3432 136.482
191 2.8048 -545.3431 136.698
192 2.8148 -545.3430 136.952
193 2.8248 -545.3429 137.208
194 2.8348 -545.3428 137.414
195 2.8449 -545.3427 137.660
196 2.8549 -545.3426 137.909
197 2.8649 -545.3426 138.104
198 2.8749 -545.3425 138.344
199 2.8850 -545.3424 138.551
200 2.8950 -545.3423 138.784
201 2.9050 -545.3422 139.020
202 2.9150 -545.3421 139.203
203 2.9251 -545.3421 139.428
204 2.9351 -545.3420 139.657
205 2.9451 -545.3419 139.832
206 2.9551 -545.3418 140.050
207 2.9652 -545.3417 140.275
208 2.9752 -545.3417 140.442
209 2.9852 -545.3416 140.660
210 2.9952 -545.3415 140.834
211 3.0053 -545.3414 141.047
212 3.0153 -545.3414 141.217
213 3.0253 -545.3413 141.424
214 3.0353 -545.3412 141.591
215 3.0454 -545.3411 141.818
216 3.0554 -545.3411 141.963
217 3.0654 -545.3410 142.161
218 3.0754 -545.3410 142.310
219 3.0855 -545.3409 142.499
220 3.0955 -545.3408 142.703
221 3.1055 -545.3408 142.836
222 3.1155 -545.3407 143.023
223 3.1256 -545.3406 143.164
224 3.1356 -545.3406 143.342
225 3.1456 -545.3405 143.525
226 3.1556 -545.3405 143.651
227 3.1657 -545.3404 143.823
228 3.1757 -545.3403 144.005
229 3.1857 -545.3403 144.124
230 3.1957 -545.3402 144.295
231 3.2058 -545.3402 144.424
232 3.2158 -545.3401 144.618
233 3.2258 -545.3400 144.725
234 3.2358 -545.3400 144.889
235 3.2459 -545.3399 145.003
236 3.2559 -545.3399 145.157
237 3.2659 -545.3398 145.329
238 3.2759 -545.3398 145.426
239 3.2860 -545.3397 145.581
240 3.2960 -545.3397 145.686
241 3.3060 -545.3396 145.832
242 3.3160 -545.3396 145.985
243 3.3261 -545.3395 146.079
244 3.3361 -545.3395 146.243
245 3.3461 -545.3394 146.335
246 3.3561 -545.3394 146.478
247 3.3662 -545.3393 146.570
248 3.3762 -545.3393 146.705
249 3.3862 -545.3392 146.847
250 3.3962 -545.3392 146.928
251 3.4063 -545.3391 147.069
252 3.4163 -545.3391 147.158
253 3.4263 -545.3391 147.289
254 3.4363 -545.3390 147.374
255 3.4464 -545.3390 147.497
256 3.4564 -545.3389 147.627
257 3.4664 -545.3389 147.696
258 3.4764 -545.3389 147.816
259 3.4865 -545.3388 147.976
260 3.4965 -545.3388 148.018
261 3.5065 -545.3387 148.139
262 3.5165 -545.3387 148.204
263 3.5266 -545.3387 148.316
264 3.5366 -545.3386 148.438
265 3.5466 -545.3386 148.497
266 3.5566 -545.3386 148.613
267 3.5667 -545.3385 148.682
268 3.5767 -545.3385 148.792
269 3.5867 -545.3385 148.862
270 3.5967 -545.3384 148.999
271 3.6068 -545.3384 149.045
272 3.6168 -545.3384 149.151
273 3.6268 -545.3383 149.206
274 3.6368 -545.3383 149.304
275 3.6469 -545.3383 149.418
276 3.6569 -545.3382 149.460
277 3.6669 -545.3382 149.560
278 3.6769 -545.3382 149.613
279 3.6870 -545.3381 149.707
280 3.6970 -545.3381 149.809
281 3.7070 -545.3381 149.849
282 3.7170 -545.3381 149.951
283 3.7271 -545.3380 150.000
284 3.7371 -545.3380 150.093
285 3.7471 -545.3380 150.141
286 3.7571 -545.3379 150.228
287 3.7672 -545.3379 150.283
288 3.7772 -545.3379 150.367
289 3.7872 -545.3379 150.463
290 3.7972 -545.3378 150.494
291 3.8073 -545.3378 150.582
292 3.8173 -545.3378 150.626
293 3.8273 -545.3378 150.728
294 3.8373 -545.3377 150.761
295 3.8474 -545.3377 150.845
296 3.8574 -545.3377 150.879
297 3.8674 -545.3377 150.956
298 3.8774 -545.3377 151.002
299 3.8875 -545.3376 151.077
300 3.8975 -545.3376 151.122
301 3.9075 -545.3376 151.196
302 3.9175 -545.3376 151.239
303 3.9276 -545.3375 151.312
304 3.9376 -545.3375 151.353
305 3.9476 -545.3375 151.424
306 3.9576 -545.3375 151.465
307 3.9677 -545.3374 151.534
308 3.9777 -545.3374 151.573
309 3.9877 -545.3374 151.641
310 3.9977 -545.3374 151.679
311 4.0078 -545.3374 151.746
312 4.0178 -545.3374 151.782
313 4.0278 -545.3373 151.848
314 4.0378 -545.3373 151.884
315 4.0479 -545.3373 151.948
316 4.0579 -545.3373 151.982
317 4.0679 -545.3373 152.046
318 4.0779 -545.3372 152.079
319 4.0880 -545.3372 152.142
320 4.0980 -545.3372 152.174
321 4.1080 -545.3372 152.236
322 4.1180 -545.3372 152.267
323 4.1281 -545.3371 152.327
324 4.1381 -545.3371 152.357
325 4.1481 -545.3371 152.417
326 4.1581 -545.3371 152.446
327 4.1682 -545.3371 152.505
328 4.1782 -545.3371 152.533
329 4.1882 -545.3370 152.591
330 4.1982 -545.3370 152.618
331 4.2083 -545.3370 152.674
332 4.2183 -545.3370 152.700
333 4.2283 -545.3370 152.756
334 4.2383 -545.3370 152.781
335 4.2484 -545.3370 152.836
336 4.2584 -545.3369 152.860
337 4.2684 -545.3369 152.914
338 4.2784 -545.3369 152.937
339 4.2885 -545.3369 152.990
340 4.2985 -545.3369 153.012
341 4.3085 -545.3369 153.065
342 4.3185 -545.3369 153.086
343 4.3286 -545.3368 153.137
344 4.3386 -545.3368 153.158
345 4.3486 -545.3368 153.208
346 4.3586 -545.3368 153.228
347 4.3687 -545.3368 153.278
348 4.3787 -545.3368 153.297
349 4.3887 -545.3368 153.346
350 4.3987 -545.3368 153.365
351 4.4088 -545.3367 153.413
352 4.4188 -545.3367 153.431
353 4.4288 -545.3367 153.479
354 4.4388 -545.3367 153.496
355 4.4489 -545.3367 153.543
356 4.4589 -545.3367 153.560
357 4.4689 -545.3367 153.607
358 4.4789 -545.3367 153.623
359 4.4890 -545.3366 153.669
360 4.4990 -545.3366 153.685
361 4.5090 -545.3366 153.730
362 4.5190 -545.3366 153.745
363 4.5291 -545.3366 153.790
364 4.5391 -545.3366 153.805
365 4.5491 -545.3366 153.849
366 4.5591 -545.3366 153.863
367 4.5692 -545.3365 153.907
368 4.5792 -545.3365 153.921
369 4.5892 -545.3365 153.964
370 4.5992 -545.3365 153.977
371 4.6093 -545.3365 154.020
372 4.6193 -545.3365 154.032
373 4.6293 -545.3365 154.074
374 4.6393 -545.3365 154.086
375 4.6494 -545.3365 154.128
376 4.6594 -545.3365 154.139
377 4.6694 -545.3364 154.180
378 4.6794 -545.3364 154.190
379 4.6895 -545.3364 154.231
380 4.6995 -545.3364 154.241
381 4.7095 -545.3364 154.281
382 4.7195 -545.3364 154.291
383 4.7296 -545.3364 154.331
384 4.7396 -545.3364 154.340
385 4.7496 -545.3364 154.379
386 4.7596 -545.3364 154.387
387 4.7697 -545.3363 154.426
388 4.7797 -545.3363 154.434
389 4.7897 -545.3363 154.473
390 4.7997 -545.3363 154.480
391 4.8098 -545.3363 154.518
392 4.8198 -545.3363 154.526
393 4.8298 -545.3363 154.563
394 4.8398 -545.3363 154.570
395 4.8499 -545.3363 154.607
396 4.8599 -545.3363 154.614
397 4.8699 -545.3363 154.651
398 4.8799 -545.3363 154.657
399 4.8900 -545.3362 154.694
400 4.9000 -545.3362 154.700