WebMO Job Summary

390: C6H13FSi 1-ETHYL-1-FLUOROSILACYCLOPENTANE conformer B C1 28Si, Opt + Ultrafine Anharmonic Freq - Gaussian

Calculated Quantities

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Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) OPT(maxstep=10,maxcycles=50,VeryTight) FREQ(Anharmonic,vibrot) int=ultrafine
Method B3LYP
Stoichiometry C6H13FSi
Symmetry C1
Basis 6-311+G(2d,p)
RB3LYP Energy -626.034793617 Hartree
ZPE 0.180081 Hartree
Conditions 298.150K, 1.00000 atm
Internal Energy -625.844837 Hartree
Enthalpy -625.843893 Hartree
Free Energy -625.890047 Hartree
Cv 36.730 cal/mol-K
Entropy 97.140 cal/mol-K
Dipole Moment 1.8859 Debye
Server batch (119426)
CPU time 632620.3 sec

Geometry Sequence Energies

Step Energy (au)  
0 -626.034857443  
1 -626.034857440  
2 -626.034857446  
3 -626.034857428  
4 -626.034857424  
5 -626.034857430  
6 -626.034857419  
7 -626.034857418  
8 -626.034857418  
9 -626.034857418  
10 -626.034857418  
11 -626.034857418  
12 -626.034857419  
13 -626.034857418  
14 -626.034857418  
15 -626.034857418  
Animation speed  
Loop  

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 2.70712 0.09029980334
b 1.10961 0.03701260557
c 1.08150 0.03607495690

Partial Charges

Atom Symbol Charge
1 C -0.718039  
2 Si 1.662841  
3 C -0.680559  
4 C -0.183792  
5 C -0.131485  
6 H 0.100095  
7 H 0.111654  
8 H 0.105078  
9 H 0.100213  
10 H 0.131972  
11 H 0.114431  
12 F -0.530442  
13 C -0.451470  
14 C -0.497162  
15 H 0.139257  
16 H 0.116737  
17 H 0.121672  
18 H 0.124018  
19 H 0.120655  
20 H 0.121408  
21 H 0.122919  

Vibrational Modes

Mode Symmetry Frequency (cm-1) IR Intensity Actions
1 A 54.5633 0.0634
2 A 75.0515 0.6957
3 A 115.6471 0.3954
4 A 168.9240 1.4937
5 A 205.2852 3.1379
6 A 255.2052 5.2022
7 A 257.2891 0.2940
8 A 276.9397 2.6124
9 A 317.3366 7.0376
10 A 444.5571 19.2737
11 A 495.6893 2.0893
12 A 591.5213 3.5037
13 A 655.5601 8.4155
14 A 705.2715 57.3656
15 A 714.9744 28.2971
16 A 721.1799 19.9740
17 A 789.3744 87.0445
18 A 849.3884 32.8914
19 A 852.4604 71.8446
20 A 865.1000 28.0560
21 A 930.9881 1.2244
22 A 954.0761 1.1094
23 A 973.8996 3.5342
24 A 981.3729 6.7884
25 A 1023.1762 5.1527
26 A 1026.6274 34.7969
27 A 1054.4085 12.7770
28 A 1104.9249 48.8002
29 A 1182.6498 3.6197
30 A 1225.4825 0.3944
31 A 1265.0777 1.4925
32 A 1276.3047 4.8825
33 A 1283.9112 8.1098
34 A 1287.6555 0.9037
35 A 1345.1997 1.6433
36 A 1350.9260 1.0429
37 A 1417.4283 1.1538
38 A 1449.7869 8.2964
39 A 1452.8523 3.5670
40 A 1455.2571 9.4507
41 A 1497.0318 5.2072
42 A 1504.3496 5.3177
43 A 1505.5320 1.9209
44 A 1509.1706 5.8813
45 A 3005.9891 6.2423
46 A 3006.7153 30.6477
47 A 3013.7688 22.4479
48 A 3018.3744 24.1150
49 A 3022.5315 40.0318
50 A 3028.0946 13.9963
51 A 3038.8765 7.4405
52 A 3053.2470 47.5332
53 A 3058.1345 48.4933
54 A 3075.7246 32.5333
55 A 3081.8225 18.4635
56 A 3084.9395 19.1036
57 A 3088.6958 28.3843
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum  
Peak Width (cm-1)

Anharmonic Vibrational Modes

Mode Frequency (cm-1) IR Intensity Raman Intensity
1 2966.917 31.70935881
2 2950.731 27.60539668
3 2957.465 74.09295827
4 2943.260 25.62980998
5 2912.732 45.23973392
6 2923.562 51.94936285
7 2893.581 17.38685008
8 2903.341 13.90316912
9 2873.463 22.20623530
10 2893.219 15.29533976
11 2827.611 30.31227363
12 2868.539 20.85765923
13 2863.118 6.36953294
14 1477.214 0.17217573
15 1459.282 2.68259016
16 1470.889 3.49567555
17 1458.291 4.38651002
18 1439.550 3.28929033
19 1408.813 2.24924616
20 1423.907 7.57977685
21 1388.526 0.64897004
22 1319.994 0.83197145
23 1315.675 1.24742038
24 1257.938 4.69499247
25 1252.034 6.46086703
26 1250.385 2.50022381
27 1241.704 0.83272204
28 1198.746 0.29566384
29 1153.659 1.36446302
30 1084.303 27.84599404
31 1038.441 7.85563220
32 1005.887 21.68466830
33 995.652 21.41498517
34 968.505 5.87936308
35 961.147 2.29802923
36 936.504 0.84239750
37 916.980 0.69674755
38 848.959 41.93063454
39 836.005 95.17019324
40 832.861 0.33711045
41 776.572 61.21868680
42 711.787 17.61182654
43 704.489 17.72275157
44 691.279 14.25074908
45 645.262 7.28302699
46 582.695 2.68731931
47 493.834 1.96262960
48 439.098 18.38395346
49 313.621 6.68785847
50 268.408 1.23011884
51 283.027 3.92550346
52 252.143 4.63663678
53 207.350 2.73031005
54 154.679 1.03193459
55 112.917 0.15314889
56 52.485 0.13288009
57 42.762 0.03518989
58 5852.963 0.26223415
59 5801.654 0.47516655
60 5807.777 0.43803748
61 5809.483 0.51159976
62 5843.820 0.01303133
63 5786.076 0.46912951
64 5667.563 0.32261267
65 5739.087 0.43018083
66 5728.230 0.00808019
67 5745.413 0.14297047
68 5700.212 0.49666183
69 5766.499 0.04838671
70 5757.658 0.07929863
71 2942.280 13.05186330
72 2937.926 5.63987616
73 2959.521 9.11686002
74 2921.026 26.89984417
75 2850.087 0.41580878
76 2828.777 0.95309770
77 2833.128 0.87354613
78 2747.656 2.28684379
79 2631.195 0.06185029
80 2617.718 0.29766704
81 2513.824 0.01094662
82 2501.652 0.03190427
83 2492.331 0.00224981
84 2477.175 0.03975713
85 2395.225 0.05569595
86 2302.148 0.00850703
87 2166.519 0.06248523
88 2075.849 0.03903431
89 1998.380 0.01090555
90 1987.361 0.00276567
91 1936.911 0.06387307
92 1922.259 0.06068666
93 1871.271 0.00002596
94 1834.150 0.00959385
95 1695.807 0.03806229
96 1670.254 0.09202709
97 1664.290 0.00875016
98 1551.198 0.14403473
99 1413.756 1.16899360
100 1405.407 0.52825773
101 1388.434 0.17591538
102 1289.476 0.22323514
103 1164.146 0.15549220
104 988.100 0.07224111
105 877.724 0.16025850
106 626.659 0.09948727
107 535.764 0.00600152
108 492.722 0.06815793
109 505.021 0.00252445
110 410.198 0.00955287
111 334.350 0.00729511
112 229.822 0.00989997
113 135.657 0.00179414
114 89.453 0.00110958
115 6173.635 0.00085313
116 6170.518 0.00198691
117 6166.762 0.02922250
118 6164.420 0.23922828
119 6160.664 0.00115326
120 6157.547 0.00354649
121 6146.830 0.00031987
122 6143.074 0.03214526
123 6139.957 0.06021898
124 6133.859 0.00040908
125 6141.943 0.00018520
126 6138.186 0.00478493
127 6135.070 0.00924441
128 6128.972 0.00009921
129 6111.382 0.29521043
130 6127.572 0.09086732
131 6123.816 0.00008232
132 6120.699 0.00033179
133 6114.601 0.05603909
134 6097.011 0.00172072
135 6092.124 0.00175164
136 6116.790 0.00000173
137 6113.034 0.00069185
138 6109.917 0.23071381
139 6103.819 0.00030151
140 6086.229 0.08993943
141 6081.342 0.08679308
142 6066.971 0.00036222
143 6111.227 0.03793915
144 6107.471 0.00171358
145 6104.354 0.00072080
146 6098.256 0.17765383
147 6080.666 0.00151372
148 6075.779 0.00070706
149 6061.408 0.03542180
150 6050.626 0.00111555
151 6107.070 0.00018548
152 6103.314 0.13874613
153 6100.197 0.00674844
154 6094.099 0.00115248
155 6076.509 0.15080970
156 6071.621 0.10204432
157 6057.251 0.01152123
158 6046.469 0.00353006
159 6040.906 0.00015066
160 6102.465 0.00010477
161 6098.708 0.04453157
162 6095.591 0.01342544
163 6089.493 0.00028155
164 6071.903 0.10411088
165 6067.016 0.27229194
166 6052.645 0.00046124
167 6041.863 0.02358651
168 6036.300 0.00025952
169 6032.143 0.17426253
170 6095.411 0.00569983
171 6091.655 0.00396170
172 6088.538 0.02841840
173 6082.440 0.02494351
174 6064.850 0.12149591
175 6059.962 0.03983300
176 6045.592 0.24332630
177 6034.810 0.00399255
178 6029.247 0.02468413
179 6025.090 0.00316622
180 6020.484 0.07273669
181 6094.685 0.00383908
182 6090.929 0.00879314
183 6087.812 0.01295323
184 6081.714 0.01409548
185 6064.124 0.14669372
186 6059.236 0.05649488
187 6044.866 0.21224057
188 6034.084 0.00121362
189 6028.521 0.01778756
190 6024.363 0.02585532
191 6019.758 0.08125647
192 6012.704 0.02645598
193 4597.866 0.18278982
194 4594.110 0.00110200
195 4590.993 0.00015110
196 4584.895 0.14915339
197 4567.305 0.00111938
198 4562.418 0.00128095
199 4548.047 0.03105457
200 4537.265 0.00028723
201 4531.702 0.17129598
202 4527.545 0.00162131
203 4522.939 0.00051865
204 4515.886 0.00311065
205 4515.160 0.00450075
206 4594.228 0.00789207
207 4590.471 0.01310326
208 4587.355 0.01241198
209 4581.257 0.01735792
210 4563.667 0.14049256
211 4558.779 0.18095005
212 4544.409 0.00297060
213 4533.627 0.01955106
214 4528.064 0.01225980
215 4523.906 0.05379059
216 4519.301 0.13206601
217 4512.247 0.00856941
218 4511.521 0.01723050
219 3014.703 11.59889779
220 4593.045 0.15118083
221 4589.289 0.00200983
222 4586.172 0.00159181
223 4580.074 0.26278563
224 4562.484 0.00844882
225 4557.597 0.00848278
226 4543.226 0.03127595
227 4532.444 0.00180441
228 4526.881 0.18118718
229 4522.724 0.00135778
230 4518.118 0.00550437
231 4511.065 0.00778317
232 4510.339 0.00172768
233 3013.520 4.98766233
234 3009.882 12.79239558
235 4585.728 0.00020901
236 4581.971 0.00393287
237 4578.854 0.00546344
238 4572.756 0.00035691
239 4555.166 0.12496980
240 4550.279 0.21010622
241 4535.908 0.00073795
242 4525.126 0.04344590
243 4519.563 0.00026442
244 4515.406 0.09772478
245 4510.801 0.23235793
246 4503.747 0.15385576
247 4503.021 0.20759115
248 3006.202 53.71247418
249 3002.564 7.72443027
250 3001.381 2.76442846
251 4543.953 0.00046679
252 4540.197 0.04602067
253 4537.080 0.09073090
254 4530.982 0.00249687
255 4513.392 0.00103636
256 4508.504 0.00668139
257 4494.134 0.16083315
258 4483.352 0.07554461
259 4477.789 0.00397066
260 4473.631 0.01355459
261 4469.026 0.00076318
262 4461.972 0.08227625
263 4461.246 0.01887177
264 2964.428 0.00823240
265 2960.789 0.32158187
266 2959.607 0.05167383
267 2952.289 0.01421859
268 4541.548 0.00018545
269 4537.792 0.04488573
270 4534.675 0.14809964
271 4528.577 0.00112743
272 4510.987 0.03487975
273 4506.099 0.01235651
274 4491.729 0.06065176
275 4480.947 0.17484916
276 4475.384 0.00131083
277 4471.227 0.02519764
278 4466.621 0.06623686
279 4459.568 0.00819794
280 4458.841 0.04445548
281 2962.023 0.00967499
282 2958.384 0.96575734
283 2957.202 0.06642407
284 2949.884 0.33842833
285 2908.109 0.87857817
286 4538.483 0.00018715
287 4534.726 0.17071282
288 4531.609 0.02055306
289 4525.512 0.00071048
290 4507.921 0.01073977
291 4503.034 0.00632683
292 4488.663 0.08081819
293 4477.882 0.00162773
294 4472.318 0.00491340
295 4468.161 0.11981657
296 4463.556 0.05955006
297 4456.502 0.01787761
298 4455.776 0.03580795
299 2958.958 0.01252376
300 2955.319 0.44331109
301 2954.136 0.11931509
302 2946.819 0.12086841
303 2905.044 1.27228649
304 2902.639 1.08237144
305 4506.124 0.28085413
306 4502.368 0.00105590
307 4499.251 0.00106485
308 4493.153 0.31072612
309 4475.563 0.00024587
310 4470.675 0.00038030
311 4456.305 0.14841945
312 4445.523 0.00100561
313 4439.960 0.37973061
314 4435.803 0.00325616
315 4431.197 0.00079302
316 4424.144 0.04749372
317 4423.417 0.03586731
318 2926.599 0.54585777
319 2922.960 0.02987647
320 2921.778 0.57562737
321 2914.460 0.00053003
322 2872.685 0.02805210
323 2870.281 0.00740606
324 2867.215 0.01451254
325 4439.622 0.00011892
326 4435.865 0.00559646
327 4432.749 0.00654554
328 4426.651 0.00017024
329 4409.060 0.02382648
330 4404.173 0.00183879
331 4389.803 0.00066453
332 4379.021 0.01052213
333 4373.457 0.00069733
334 4369.300 0.00226366
335 4364.695 0.08050615
336 4357.641 0.01562556
337 4356.915 0.01382306
338 2860.097 0.00112642
339 2856.458 0.12299793
340 2855.276 0.00512009
341 2847.958 0.16009899
342 2806.183 0.01841492
343 2803.778 0.00563522
344 2800.713 0.01775636
345 2768.354 0.00037776
346 4433.895 0.00022629
347 4430.139 0.01564462
348 4427.022 0.02439546
349 4420.924 0.00034859
350 4403.334 0.00615008
351 4398.447 0.00960606
352 4384.076 0.00528869
353 4373.294 0.03019957
354 4367.731 0.00131691
355 4363.574 0.04308650
356 4358.969 0.02388409
357 4351.915 0.03167944
358 4351.189 0.05255192
359 2854.370 0.00188838
360 2850.732 0.22086180
361 2849.549 0.00808252
362 2842.231 0.08605189
363 2800.457 0.00153730
364 2798.052 0.04520174
365 2794.987 0.01738562
366 2762.628 0.00050907
367 2696.126 0.38737561
368 4376.351 0.00329908
369 4372.595 0.00792107
370 4369.478 0.01494975
371 4363.380 0.00124876
372 4345.790 0.00190744
373 4340.902 0.01392875
374 4326.532 0.00070661
375 4315.750 0.01643613
376 4310.187 0.00266942
377 4306.030 0.01771235
378 4301.424 0.00975874
379 4294.371 0.03893151
380 4293.645 0.04871455
381 2796.826 0.00187769
382 2793.187 0.05379203
383 2792.005 0.00126287
384 2784.687 0.01955678
385 2742.913 0.00305348
386 2740.508 0.00887163
387 2737.442 0.03267733
388 2705.084 0.00159228
389 2638.581 0.06060593
390 2632.855 0.11841766
391 4372.607 0.00743723
392 4368.851 0.00936399
393 4365.734 0.00339832
394 4359.636 0.00085986
395 4342.046 0.00439055
396 4337.158 0.00295251
397 4322.788 0.00057669
398 4312.006 0.00445453
399 4306.443 0.00454072
400 4302.286 0.01756280
401 4297.680 0.00757290
402 4290.627 0.00676784
403 4289.900 0.00307764
404 2793.082 0.00142308
405 2789.443 0.16888206
406 2788.261 0.01376585
407 2780.943 0.02954401
408 2739.168 0.01676765
409 2736.764 0.05782780
410 2733.698 0.00678727
411 2701.340 0.00072339
412 2634.837 0.01691474
413 2629.111 0.12175033
414 2571.567 0.00550686
415 4365.000 0.06035231
416 4361.244 0.00130551
417 4358.127 0.00009852
418 4352.029 0.15099405
419 4334.439 0.00076556
420 4329.552 0.00095281
421 4315.181 0.01504611
422 4304.399 0.00062923
423 4298.836 0.18111542
424 4294.679 0.00102148
425 4290.073 0.00625405
426 4283.020 0.07812942
427 4282.294 0.05387604
428 2785.475 0.02782871
429 2781.837 0.00870671
430 2780.654 0.06853578
431 2773.336 0.00078060
432 2731.562 0.21361894
433 2729.157 0.06518333
434 2726.092 0.11274732
435 2693.733 0.05580166
436 2627.231 0.00131270
437 2621.504 0.01001258
438 2563.960 0.00010122
439 2560.216 0.00346874
440 4353.774 0.23756332
441 4350.017 0.00089447
442 4346.900 0.00073915
443 4340.802 0.09269899
444 4323.212 0.00067423
445 4318.325 0.00036212
446 4303.954 0.01681667
447 4293.172 0.00345818
448 4287.609 0.20102988
449 4283.452 0.00203939
450 4278.847 0.00019275
451 4271.793 0.00514238
452 4271.067 0.00502382
453 2774.248 0.32165655
454 2770.610 0.00226733
455 2769.427 0.04606935
456 2762.110 0.00089914
457 2720.335 0.02264143
458 2717.930 0.01212257
459 2714.865 0.01268671
460 2682.506 0.00234182
461 2616.004 0.00210177
462 2610.277 0.00267921
463 2552.733 0.00093004
464 2548.989 0.00259622
465 2541.382 0.01523808
466 4314.178 0.00009762
467 4310.422 0.02276962
468 4307.305 0.02727072
469 4301.207 0.00308033
470 4283.617 0.13342118
471 4278.730 0.08968471
472 4264.359 0.00139995
473 4253.577 0.01116141
474 4248.014 0.00077530
475 4243.857 0.07721993
476 4239.251 0.33719083
477 4232.198 0.03237098
478 4231.472 0.05042163
479 2734.653 0.00102383
480 2731.015 0.05888196
481 2729.832 0.00244094
482 2722.514 0.05375400
483 2680.740 0.00498747
484 2678.335 0.02832425
485 2675.269 0.01711105
486 2642.911 0.00029347
487 2576.409 0.00425673
488 2570.682 0.00943000
489 2513.138 0.00980236
490 2509.394 0.00567547
491 2501.787 0.00153031
492 2490.560 0.00099040
493 4271.346 0.00004878
494 4267.589 0.00893605
495 4264.472 0.02524585
496 4258.374 0.00003991
497 4240.784 0.07834079
498 4235.897 0.01390300
499 4221.526 0.00210177
500 4210.744 0.07373367
501 4205.181 0.00003556
502 4201.024 0.12893981
503 4196.419 0.04387653
504 4189.365 0.01196921
505 4188.639 0.01599491
506 2691.820 0.00053108
507 2688.182 0.02840054
508 2686.999 0.00192183
509 2679.682 0.00443047
510 2637.907 0.08695989
511 2635.502 0.02270216
512 2632.437 0.08536447
513 2600.078 0.00045186
514 2533.576 0.00100238
515 2527.850 0.00314590
516 2470.305 0.00470677
517 2466.561 0.03546340
518 2458.954 0.00467602
519 2447.728 0.00057069
520 2408.132 0.00710248
521 4193.621 0.00213564
522 4189.864 0.03044772
523 4186.747 0.05405913
524 4180.650 0.00144350
525 4163.059 0.02040751
526 4158.172 0.01726323
527 4143.801 0.00320287
528 4133.020 0.05393191
529 4127.456 0.00130918
530 4123.299 0.08270197
531 4118.694 0.02722441
532 4111.640 0.01182043
533 4110.914 0.00738744
534 2614.096 0.00026488
535 2610.457 0.00224093
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1179 1600.614 0.00080896
1180 1550.098 0.00060284
1181 1522.317 0.00087868
1182 1518.865 0.01885392
1183 1477.062 0.02223452
1184 1469.589 0.00684645
1185 1449.765 0.06310466
1186 1426.677 0.19888755
1187 1360.789 0.01565107
1188 1348.150 0.29687227
1189 1345.078 0.08092303
1190 1285.064 0.88130570
1191 1216.869 0.06224811
1192 1210.664 0.00073067
1193 1200.961 0.02096518
1194 1151.249 0.01088109
1195 1087.211 0.16611715
1196 3533.253 0.01311128
1197 3529.497 0.04101658
1198 3526.380 0.02941615
1199 3520.282 0.06640460
1200 3502.692 0.02692505
1201 3497.804 0.01489736
1202 3483.434 0.02780358
1203 3472.652 0.01291332
1204 3467.089 0.00830208
1205 3462.931 0.01842731
1206 3458.326 0.00707261
1207 3451.272 0.00906860
1208 3450.546 0.01048170
1209 1953.728 0.00533423
1210 1950.089 0.00372342
1211 1948.907 0.00334025
1212 1941.589 0.00404746
1213 1899.814 0.01085452
1214 1897.409 0.00270093
1215 1894.344 0.01410044
1216 1861.985 0.00845216
1217 1795.483 0.00424925
1218 1789.757 0.00789170
1219 1732.213 0.01082913
1220 1728.468 0.03168682
1221 1720.862 0.04878995
1222 1709.635 0.00062031
1223 1670.040 0.00475685
1224 1627.207 0.02773323
1225 1549.482 0.04484052
1226 1498.966 0.11297925
1227 1471.184 0.15518081
1228 1467.733 0.03059258
1229 1425.930 0.09044527
1230 1418.457 0.41250304
1231 1398.633 0.00572364
1232 1375.545 0.00097801
1233 1309.657 0.00164112
1234 1297.017 0.04580560
1235 1293.945 0.07668466
1236 1233.931 0.12538765
1237 1165.737 0.10050812
1238 1159.531 0.01703742
1239 1149.829 0.01736158
1240 1100.117 1.43327780
1241 1036.078 4.17779109
1242 940.246 0.04523248
1243 3406.032 0.00674791
1244 3402.276 0.00850629
1245 3399.159 0.00789992
1246 3393.061 0.05243862
1247 3375.471 0.00351475
1248 3370.584 0.00418601
1249 3356.213 0.03008254
1250 3345.431 0.02093320
1251 3339.868 0.00443665
1252 3335.711 0.00796184
1253 3331.105 0.00024268
1254 3324.052 0.00955923
1255 3323.326 0.00612887
1256 1826.507 0.00116402
1257 1822.869 0.00157481
1258 1821.686 0.00392157
1259 1814.368 0.00071394
1260 1772.594 0.01253049
1261 1770.189 0.00179155
1262 1767.124 0.00079106
1263 1734.765 0.01536029
1264 1668.263 0.00117700
1265 1662.536 0.01002751
1266 1604.992 0.01709915
1267 1601.248 0.03683999
1268 1593.641 0.02850529
1269 1582.414 0.01055963
1270 1542.819 0.00516796
1271 1499.986 0.15035933
1272 1422.262 0.19609100
1273 1371.745 0.00593115
1274 1343.964 0.12352060
1275 1340.513 0.06197697
1276 1298.710 0.29034173
1277 1291.236 0.38648793
1278 1271.413 0.08865403
1279 1248.325 0.00170215
1280 1182.437 0.00772909
1281 1169.797 0.01809861
1282 1166.725 0.07361804
1283 1106.711 7.63155657
1284 1038.517 0.02787563
1285 1032.311 0.02217703
1286 1022.608 0.51461276
1287 972.897 0.89432939
1288 908.858 0.20503602
1289 813.026 0.20973592
1290 761.894 0.05525916
1291 3365.635 0.00286408
1292 3361.879 0.11659126
1293 3358.762 0.00821579
1294 3352.664 0.00417742
1295 3335.074 0.09367467
1296 3330.187 0.04606213
1297 3315.816 0.00438575
1298 3305.034 0.01115369
1299 3299.471 0.00075798
1300 3295.314 0.05377672
1301 3290.708 0.06689612
1302 3283.655 0.02415499
1303 3282.929 0.02512898
1304 1786.110 0.00181223
1305 1782.472 0.00261607
1306 1781.289 0.00081349
1307 1773.971 0.01697273
1308 1732.197 0.02634374
1309 1729.792 0.00119371
1310 1726.727 0.06522195
1311 1694.368 0.00052987
1312 1627.866 0.01040527
1313 1622.139 0.01951036
1314 1564.595 0.00519001
1315 1560.851 0.00533053
1316 1553.244 0.00160909
1317 1542.017 0.00301488
1318 1502.422 0.40822431
1319 1459.589 1.08996107
1320 1381.865 0.00265806
1321 1331.348 0.11894034
1322 1303.567 0.00803733
1323 1300.116 0.00512342
1324 1258.313 0.02280348
1325 1250.839 0.01778510
1326 1231.016 0.03516950
1327 1207.928 0.00544402
1328 1142.040 0.02091052
1329 1129.400 0.03969630
1330 1126.328 0.00881430
1331 1066.314 0.11518271
1332 998.120 0.00747076
1333 991.914 0.15822701
1334 982.211 0.22908324
1335 932.500 0.22750491
1336 868.461 0.22878080
1337 772.629 0.14851238
1338 721.497 21.20905084
1339 594.276 0.74108132
1340 3345.985 0.08455348
1341 3342.229 0.01101432
1342 3339.112 0.02482036
1343 3333.014 0.15552517
1344 3315.424 0.00381101
1345 3310.536 0.00495968
1346 3296.166 0.13846706
1347 3285.384 0.00250654
1348 3279.821 0.01537124
1349 3275.663 0.01345023
1350 3271.058 0.00587966
1351 3264.004 0.01092239
1352 3263.278 0.01927274
1353 1766.460 0.05957415
1354 1762.821 0.00894526
1355 1761.639 0.04418475
1356 1754.321 0.00152061
1357 1712.546 0.01079807
1358 1710.141 0.02785818
1359 1707.076 0.00614030
1360 1674.717 0.00117855
1361 1608.215 0.00282210
1362 1602.489 0.00114599
1363 1544.945 0.00676700
1364 1541.200 0.00611373
1365 1533.594 0.10748946
1366 1522.367 0.04131140
1367 1482.772 0.00168063
1368 1439.939 0.00854066
1369 1362.214 0.00887783
1370 1311.698 0.00522910
1371 1283.917 0.44409993
1372 1280.465 0.04753506
1373 1238.662 0.05583778
1374 1231.189 0.07908784
1375 1211.365 0.01867412
1376 1188.277 0.16627163
1377 1122.389 0.02329807
1378 1109.750 0.00600369
1379 1106.677 2.33710857
1380 1046.664 0.02953602
1381 978.469 0.64732916
1382 972.264 0.62123820
1383 962.561 0.11228235
1384 912.849 0.07154797
1385 848.810 25.67641572
1386 752.978 0.09820885
1387 701.846 7.18138058
1388 574.626 0.07411217
1389 534.229 0.00835769
1390 3343.901 0.00207232
1391 3340.145 0.02504520
1392 3337.028 0.15692233
1393 3330.930 0.00591360
1394 3313.340 0.05054561
1395 3308.452 0.03761875
1396 3294.082 0.00848195
1397 3283.300 0.03510459
1398 3277.737 0.00076560
1399 3273.580 0.02651313
1400 3268.974 0.00645444
1401 3261.921 0.04397890
1402 3261.194 0.00774845
1403 1764.376 0.00280900
1404 1760.737 0.00408258
1405 1759.555 0.00176387
1406 1752.237 0.00576355
1407 1710.462 0.02208194
1408 1708.058 0.07345340
1409 1704.992 0.00237062
1410 1672.634 0.00185633
1411 1606.131 0.00694499
1412 1600.405 0.00284547
1413 1542.861 0.01085138
1414 1539.116 0.00924057
1415 1531.510 0.01574918
1416 1520.283 0.00182376
1417 1480.688 0.00096751
1418 1437.855 0.12296860
1419 1360.130 0.02315799
1420 1309.614 0.04453013
1421 1281.833 1.18506350
1422 1278.381 0.17961587
1423 1236.578 0.01012792
1424 1229.105 0.00120714
1425 1209.281 0.06876691
1426 1186.193 1.98815384
1427 1120.305 0.05538928
1428 1107.666 1.33996487
1429 1104.594 1.37055629
1430 1044.580 0.41093099
1431 976.385 0.10351098
1432 970.180 0.05630180
1433 960.477 0.16362121
1434 910.765 0.02350011
1435 846.727 0.94307965
1436 750.895 0.22147241
1437 699.762 14.84495407
1438 572.542 0.01556158
1439 532.145 0.01512648
1440 512.494 0.00778020
1441 3293.981 0.04141479
1442 3290.225 0.01720861
1443 3287.108 0.02427389
1444 3281.010 0.11005001
1445 3263.420 0.06998943
1446 3258.532 0.02740804
1447 3244.162 0.00339243
1448 3233.380 0.00753452
1449 3227.817 0.00961938
1450 3223.660 0.01950713
1451 3219.054 0.01559070
1452 3212.001 0.01607664
1453 3211.274 0.01471234
1454 1714.456 0.01559149
1455 1710.817 0.00193864
1456 1709.635 0.01522150
1457 1702.317 0.00817188
1458 1660.542 0.00359988
1459 1658.138 0.00164696
1460 1655.072 0.00227930
1461 1622.714 0.00944393
1462 1556.211 0.00220657
1463 1550.485 0.00014431
1464 1492.941 0.25712662
1465 1489.196 0.04640143
1466 1481.590 0.10287299
1467 1470.363 0.02874365
1468 1430.768 0.02495386
1469 1387.935 0.01398249
1470 1310.210 0.00559938
1471 1259.694 0.01184668
1472 1231.913 0.00411813
1473 1228.461 0.02725891
1474 1186.658 0.03446466
1475 1179.185 0.00520361
1476 1159.361 0.02041510
1477 1136.273 0.01411627
1478 1070.385 0.06036358
1479 1057.746 0.33243324
1480 1054.674 3.18608777
1481 994.660 0.02490992
1482 926.465 0.14333335
1483 920.260 0.08934699
1484 910.557 0.15746918
1485 860.845 1.01574136
1486 796.806 0.84746863
1487 700.975 0.69737918
1488 649.842 0.05076559
1489 522.622 0.01203069
1490 482.225 0.02955938
1491 462.574 0.00935697
1492 460.490 0.08524474
1493 3257.620 0.37374541
1494 3253.863 0.01513018
1495 3250.747 0.00644910
1496 3244.649 0.45499902
1497 3227.059 0.00794809
1498 3222.171 0.00329179
1499 3207.801 0.09602856
1500 3197.019 0.00285009
1501 3191.456 0.00320210
1502 3187.298 0.01047685
1503 3182.693 0.00530431
1504 3175.639 0.02179785
1505 3174.913 0.01888111
1506 1678.095 0.15889578
1507 1674.456 0.00331932
1508 1673.274 0.11363135
1509 1665.956 0.00077247
1510 1624.181 0.00761406
1511 1621.776 0.01701803
1512 1618.711 0.00465017
1513 1586.352 0.00267496
1514 1519.850 0.00066670
1515 1514.124 0.00331937
1516 1456.579 0.44395939
1517 1452.835 0.04184150
1518 1445.229 0.27611704
1519 1434.002 0.18749563
1520 1394.407 0.00443127
1521 1351.574 0.00378365
1522 1273.849 0.14902461
1523 1223.332 0.01407437
1524 1195.551 0.00359510
1525 1192.100 0.00699621
1526 1150.297 0.01896134
1527 1142.824 0.07468810
1528 1123.000 0.32700592
1529 1099.912 0.18339213
1530 1034.024 0.09964600
1531 1021.384 0.68002523
1532 1018.312 0.05939053
1533 958.298 0.23097250
1534 890.104 0.46741282
1535 883.898 0.67261512
1536 874.195 0.54065162
1537 824.484 0.36329547
1538 760.445 0.49779146
1539 664.613 0.02232314
1540 613.481 0.03239172
1541 486.261 0.00176220
1542 445.864 0.00429995
1543 426.213 0.05893487
1544 424.129 0.00949138
1545 374.209 0.00033056
1546 3204.343 0.02734906
1547 3200.587 0.00547730
1548 3197.470 0.04629192
1549 3191.372 0.08762472
1550 3173.782 0.04825039
1551 3168.894 0.00691711
1552 3154.524 0.06007655
1553 3143.742 0.00214978
1554 3138.179 0.03765501
1555 3134.021 0.03223793
1556 3129.416 0.01137570
1557 3122.362 0.04418247
1558 3121.636 0.04790162
1559 1624.818 0.00482645
1560 1621.179 0.00064627
1561 1619.997 0.01450759
1562 1612.679 0.00355395
1563 1570.904 0.01612994
1564 1568.499 0.00513483
1565 1565.434 0.00390261
1566 1533.075 0.06133145
1567 1466.573 0.00556394
1568 1460.847 0.00328265
1569 1403.303 0.01171579
1570 1399.558 0.00744718
1571 1391.952 0.02358956
1572 1380.725 0.00592190
1573 1341.130 0.00250936
1574 1298.297 0.00772371
1575 1220.572 0.01005788
1576 1170.056 0.01017230
1577 1142.274 0.00689349
1578 1138.823 0.00135853
1579 1097.020 0.05869672
1580 1089.547 0.07978899
1581 1069.723 0.04659263
1582 1046.635 0.00506026
1583 980.747 0.00695001
1584 968.107 0.05884820
1585 965.035 0.01936838
1586 905.021 0.03142979
1587 836.827 0.64378378
1588 830.621 0.12652868
1589 820.919 0.09033062
1590 771.207 0.33299876
1591 707.168 3.15383276
1592 611.336 0.01029289
1593 560.204 0.04037723
1594 432.984 0.00678464
1595 392.587 0.01361670
1596 372.936 0.00035270
1597 370.852 0.00475663
1598 320.932 0.00024819
1599 284.571 0.00601734
1600 3163.747 0.12716516
1601 3159.991 0.03585280
1602 3156.874 0.04202486
1603 3150.776 0.17954175
1604 3133.186 0.01789510
1605 3128.298 0.09428670
1606 3113.928 0.07067418
1607 3103.146 0.00623541
1608 3097.583 0.36439700
1609 3093.426 0.03296429
1610 3088.820 0.10528978
1611 3081.767 0.81321527
1612 3081.041 1.40674881
1613 1584.222 0.06765272
1614 1580.583 0.00197016
1615 1579.401 0.03852782
1616 1572.083 0.00273728
1617 1530.309 0.01723401
1618 1527.904 0.01851264
1619 1524.838 0.00718704
1620 1492.480 0.18947935
1621 1425.977 0.00235991
1622 1420.251 0.00128517
1623 1362.707 0.00062711
1624 1358.963 0.00102767
1625 1351.356 0.00338121
1626 1340.129 0.00464300
1627 1300.534 0.03165151
1628 1257.701 0.03032336
1629 1179.976 0.76786835
1630 1129.460 0.03832221
1631 1101.679 1.81977692
1632 1098.228 0.00405744
1633 1056.424 0.11509090
1634 1048.951 0.01183620
1635 1029.128 0.06174457
1636 1006.040 0.02104960
1637 940.152 0.10878434
1638 927.512 0.07715521
1639 924.440 0.01202118
1640 864.426 0.81321770
1641 796.231 5.43287762
1642 790.026 7.49763651
1643 780.323 8.82606655
1644 730.612 0.24211554
1645 666.573 0.09427879
1646 570.741 0.03219736
1647 519.609 0.02827095
1648 392.388 0.01051186
1649 351.991 0.06708849
1650 332.341 0.01275530
1651 330.257 0.07284683
1652 280.337 0.00132119
1653 243.975 0.00224120
1654 190.699 0.00381095
1655 3143.259 0.08852842
1656 3139.503 0.03759935
1657 3136.386 0.03685551
1658 3130.288 0.02557199
1659 3112.698 0.06051492
1660 3107.810 0.14294792
1661 3093.440 0.11801303
1662 3082.658 3.46687841
1663 3077.095 0.01157787
1664 3072.938 0.12409151
1665 3068.332 0.02519352
1666 3061.279 0.70863553
1667 3060.552 0.38438256
1668 1563.734 0.02215437
1669 1560.095 0.00212522
1670 1558.913 0.00810318
1671 1551.595 0.00266667
1672 1509.820 0.00084082
1673 1507.416 0.00475406
1674 1504.350 0.52874950
1675 1471.992 0.04629718
1676 1405.489 0.00227197
1677 1399.763 0.00419670
1678 1342.219 0.00297606
1679 1338.475 0.00978081
1680 1330.868 0.00898792
1681 1319.641 0.00891803
1682 1280.046 0.01146980
1683 1237.213 0.01449463
1684 1159.488 0.03875260
1685 1108.972 0.02192056
1686 1081.191 0.00610631
1687 1077.739 0.01568003
1688 1035.936 0.02250157
1689 1028.463 3.54683987
1690 1008.639 0.01417586
1691 985.551 0.02024366
1692 919.663 0.01384568
1693 907.024 0.02720949
1694 903.952 0.00661930
1695 843.938 1.14927997
1696 775.743 0.53048050
1697 769.538 0.02625471
1698 759.835 0.62551337
1699 710.123 11.15535001
1700 646.085 0.26770014
1701 550.253 0.00455527
1702 499.120 0.36341545
1703 371.900 0.02407508
1704 331.503 0.20644246
1705 311.852 0.00049717
1706 309.769 0.05525511
1707 259.849 0.00108280
1708 223.487 0.00172091
1709 170.210 0.00098443
1710 129.615 0.00019914
IR Spectrum
Raman Spectrum
Peak Width (cm-1)

Quote

WHEN YOU'VE SEEN ONE NUCLEAR WAR YOU'VE SEEN THEM ALL.