WebMO Job Summary

391: C6H13FSi 1-ETHYL-1-FLUOROSILACYCLOPENTANE conformer B C1 29Si, 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 -626.034793616 Hartree
ZPE 0.180025 Hartree
Conditions 298.150K, 1.00000 atm
Internal Energy -625.844882 Hartree
Enthalpy -625.843938 Hartree
Free Energy -625.890124 Hartree
Cv 36.771 cal/mol-K
Entropy 97.207 cal/mol-K
Dipole Moment 1.8859 Debye
Server batch (119427)
CPU time 628216.4 sec

Geometry Sequence Energies

Step Energy (au)  
0 -626.034857418  
1 -626.034857418  
2 -626.034857418  
Animation speed  
Loop  

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 2.70622 0.09026978257
b 1.10945 0.03700726854
c 1.08121 0.03606528354

Partial Charges

Atom Symbol Charge
1 C -0.718038  
2 Si 1.662841  
3 C -0.680559  
4 C -0.183791  
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 0.121671  
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 54.4762 0.0636
2 A 74.9982 0.6950
3 A 115.5339 0.3974
4 A 168.8434 1.4909
5 A 205.1596 3.1638
6 A 254.8026 5.1850
7 A 257.1461 0.4009
8 A 276.7382 2.5846
9 A 316.3921 7.0389
10 A 442.5434 19.7201
11 A 495.2716 2.1415
12 A 591.3063 3.6083
13 A 653.9879 9.4237
14 A 701.8887 63.2400
15 A 713.4776 30.9849
16 A 719.4422 10.2136
17 A 785.6669 85.3958
18 A 846.6037 95.2253
19 A 850.8250 14.3328
20 A 864.0511 19.1847
21 A 930.9533 1.1888
22 A 953.9845 1.1564
23 A 973.5674 3.2914
24 A 980.9583 6.2057
25 A 1023.1394 4.9529
26 A 1026.4695 34.4568
27 A 1053.7334 11.7082
28 A 1104.7053 47.7794
29 A 1182.6351 3.5861
30 A 1225.4766 0.3846
31 A 1265.0299 1.4442
32 A 1276.1793 4.7511
33 A 1283.8057 7.7923
34 A 1287.5970 0.8781
35 A 1345.1560 1.5972
36 A 1350.9212 1.0590
37 A 1417.4227 1.1657
38 A 1449.7832 8.3037
39 A 1452.8483 3.5708
40 A 1455.2542 9.4623
41 A 1497.0303 5.2109
42 A 1504.3474 5.3015
43 A 1505.5300 1.9033
44 A 1509.1686 5.9014
45 A 3005.9905 6.2297
46 A 3006.7168 30.6503
47 A 3013.7673 22.4674
48 A 3018.3746 24.0951
49 A 3022.5317 40.0391
50 A 3028.0978 13.9919
51 A 3038.8752 7.4318
52 A 3053.2468 47.5482
53 A 3058.1346 48.4953
54 A 3075.7254 32.5345
55 A 3081.8236 18.4624
56 A 3084.9428 19.0890
57 A 3088.6950 28.3760
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 2965.946 34.19700239
2 2951.293 42.24694539
3 2958.259 19.96393238
4 2943.422 35.68014494
5 2912.935 44.97629515
6 2923.311 53.66633399
7 2894.224 3.63351270
8 2902.231 14.58334020
9 2868.522 31.95769908
10 2894.567 30.03854025
11 2827.613 32.56183459
12 2869.910 9.29852714
13 2863.862 6.87475332
14 1467.116 4.96890850
15 1476.479 0.88943917
16 1455.531 0.64885148
17 1458.230 4.51934008
18 1424.653 4.22807821
19 1417.812 2.96283725
20 1415.824 2.67336950
21 1386.143 1.33428819
22 1317.927 0.98128385
23 1315.165 1.47439079
24 1257.218 0.31379303
25 1254.236 2.17221080
26 1244.356 4.08652560
27 1233.965 1.34909362
28 1198.049 0.22522020
29 1154.133 2.78315958
30 1083.396 17.83110997
31 1036.691 9.62194395
32 1003.360 21.40141773
33 996.200 10.63246208
34 966.259 4.71135523
35 950.830 0.85851969
36 936.267 0.85578448
37 916.384 0.84946296
38 846.843 26.67720362
39 833.130 26.20361646
40 831.203 59.66818385
41 773.253 66.67330343
42 706.731 17.97408249
43 703.652 20.38168468
44 689.368 17.09777629
45 644.579 8.70004648
46 583.034 2.22314205
47 492.135 1.32519094
48 437.524 19.16103509
49 312.814 6.80796541
50 267.943 1.38789976
51 285.316 5.02648116
52 249.596 3.62928517
53 206.451 2.75534417
54 155.003 1.10885778
55 114.326 0.18124409
56 67.736 0.14511366
57 46.072 0.15214076
58 5853.554 0.26254095
59 5802.911 0.47537270
60 5807.544 0.43873196
61 5810.185 0.51108687
62 5843.662 0.01296541
63 5785.971 0.46937636
64 5668.548 0.31877513
65 5738.018 0.41715491
66 5729.338 0.00808003
67 5746.148 0.15587925
68 5700.697 0.50033498
69 5767.499 0.05280154
70 5758.757 0.07477313
71 2950.573 5.59693825
72 2940.905 4.40725581
73 2936.006 6.91570709
74 2921.059 18.12629445
75 2841.755 0.17340005
76 2828.134 1.42326769
77 2818.673 0.63990855
78 2743.750 2.02802118
79 2615.904 0.25099661
80 2629.125 0.10840395
81 2511.125 0.01094498
82 2504.335 0.03174702
83 2479.874 0.00302941
84 2461.875 0.03874571
85 2393.828 0.05570381
86 2304.155 0.00868044
87 2164.446 0.06351819
88 2072.863 0.03871985
89 1995.229 0.01044469
90 1987.958 0.00268267
91 1932.813 0.06495780
92 1914.396 0.06180642
93 1872.316 0.00003828
94 1832.955 0.00948092
95 1692.098 0.03769586
96 1664.210 0.00935070
97 1660.692 0.08715104
98 1544.323 0.17234731
99 1408.564 0.83855659
100 1404.074 0.40837451
101 1383.343 0.14381323
102 1288.179 0.26669431
103 1164.804 0.15611195
104 984.678 0.05633472
105 874.629 0.20066366
106 625.068 0.10319406
107 537.742 0.00683780
108 499.780 0.07341181
109 500.081 0.00214499
110 409.245 0.01060551
111 347.030 0.00739644
112 231.386 0.00981054
113 150.973 0.00170678
114 99.375 0.00164042
115 6173.638 0.00085257
116 6170.519 0.00198720
117 6166.766 0.02911907
118 6164.420 0.23925640
119 6160.668 0.00115345
120 6157.549 0.00355268
121 6146.830 0.00031934
122 6143.077 0.03213512
123 6139.958 0.06022562
124 6133.860 0.00040984
125 6141.942 0.00018504
126 6138.190 0.00478207
127 6135.070 0.00923291
128 6128.972 0.00009961
129 6111.381 0.29521504
130 6127.570 0.09087603
131 6123.818 0.00008224
132 6120.699 0.00033070
133 6114.601 0.05604567
134 6097.010 0.00171972
135 6092.122 0.00175711
136 6116.793 0.00000170
137 6113.041 0.00068928
138 6109.921 0.23071640
139 6103.823 0.00030300
140 6086.232 0.09004175
141 6081.345 0.08667264
142 6066.973 0.00036280
143 6111.227 0.03795101
144 6107.474 0.00171080
145 6104.355 0.00071944
146 6098.257 0.17766519
147 6080.666 0.00151421
148 6075.778 0.00071028
149 6061.407 0.03542906
150 6050.629 0.00111263
151 6107.070 0.00018592
152 6103.317 0.13879802
153 6100.198 0.00673512
154 6094.100 0.00115470
155 6076.509 0.15060460
156 6071.621 0.10212934
157 6057.250 0.01152839
158 6046.472 0.00352531
159 6040.906 0.00015070
160 6102.462 0.00010471
161 6098.710 0.04451349
162 6095.591 0.01343495
163 6089.493 0.00028103
164 6071.902 0.10410965
165 6067.014 0.27242473
166 6052.642 0.00045962
167 6041.865 0.02358701
168 6036.299 0.00025899
169 6032.142 0.17410557
170 6095.412 0.00568286
171 6091.660 0.00398349
172 6088.540 0.02850340
173 6082.442 0.02486194
174 6064.851 0.12215388
175 6059.964 0.03997079
176 6045.592 0.24242941
177 6034.815 0.00399990
178 6029.248 0.02459383
179 6025.091 0.00317897
180 6020.484 0.07316404
181 6094.685 0.00385989
182 6090.933 0.00878212
183 6087.814 0.01286849
184 6081.716 0.01417508
185 6064.125 0.14616776
186 6059.237 0.05624270
187 6044.866 0.21328784
188 6034.088 0.00120265
189 6028.522 0.01788300
190 6024.365 0.02584326
191 6019.758 0.08104526
192 6012.707 0.02651064
193 4597.864 0.18262336
194 4594.111 0.00109451
195 4590.992 0.00015185
196 4584.894 0.14898726
197 4567.303 0.00111078
198 4562.415 0.00127004
199 4548.044 0.03106029
200 4537.266 0.00028437
201 4531.700 0.17121361
202 4527.543 0.00161424
203 4522.936 0.00051346
204 4515.885 0.00309273
205 4515.159 0.00451515
206 4594.225 0.00782196
207 4590.473 0.01312644
208 4587.354 0.01243803
209 4581.255 0.01722843
210 4563.665 0.14061083
211 4558.777 0.18116015
212 4544.405 0.00295995
213 4533.628 0.01957217
214 4528.062 0.01215381
215 4523.905 0.05381516
216 4519.297 0.13226555
217 4512.247 0.00862504
218 4511.520 0.01719102
219 3014.699 10.40878383
220 4593.042 0.15107049
221 4589.290 0.00199735
222 4586.171 0.00157989
223 4580.073 0.26268765
224 4562.482 0.00836897
225 4557.594 0.00838322
226 4543.223 0.03128989
227 4532.445 0.00178563
228 4526.879 0.18107890
229 4522.722 0.00133396
230 4518.115 0.00544884
231 4511.064 0.00774481
232 4510.338 0.00173148
233 3013.516 4.92218293
234 3009.877 9.97083534
235 4585.725 0.00020836
236 4581.973 0.00392951
237 4578.854 0.00545986
238 4572.756 0.00035768
239 4555.165 0.12501342
240 4550.277 0.21007101
241 4535.905 0.00073713
242 4525.128 0.04343187
243 4519.562 0.00026503
244 4515.405 0.09766122
245 4510.798 0.23242015
246 4503.747 0.15468407
247 4503.021 0.20683777
248 3006.199 51.81528286
249 3002.560 10.61086784
250 3001.378 8.12076366
251 4543.949 0.00046706
252 4540.197 0.04606064
253 4537.078 0.09053556
254 4530.980 0.00249168
255 4513.389 0.00103084
256 4508.501 0.00667852
257 4494.129 0.16070330
258 4483.352 0.07541426
259 4477.786 0.00396937
260 4473.629 0.01359221
261 4469.021 0.00077004
262 4461.971 0.08205598
263 4461.245 0.01904471
264 2964.423 0.00816103
265 2960.784 0.32038319
266 2959.602 0.05155445
267 2952.285 0.01412862
268 4541.543 0.00018599
269 4537.791 0.04486604
270 4534.672 0.14826169
271 4528.574 0.00112494
272 4510.983 0.03487475
273 4506.095 0.01234373
274 4491.723 0.06056434
275 4480.946 0.17503730
276 4475.380 0.00130997
277 4471.223 0.02521703
278 4466.616 0.06622961
279 4459.565 0.00818024
280 4458.839 0.04443797
281 2962.017 0.00959049
282 2958.378 0.96540305
283 2957.196 0.06593004
284 2949.879 0.33799609
285 2908.102 0.87659921
286 4538.478 0.00018735
287 4534.726 0.17056228
288 4531.607 0.02044280
289 4525.509 0.00071221
290 4507.918 0.01071929
291 4503.030 0.00631453
292 4488.658 0.08082717
293 4477.881 0.00161606
294 4472.315 0.00491188
295 4468.158 0.11976203
296 4463.550 0.05944996
297 4456.500 0.01778292
298 4455.774 0.03594500
299 2958.952 0.01245324
300 2955.313 0.44240221
301 2954.131 0.11848928
302 2946.814 0.12056879
303 2905.037 1.26834515
304 2902.632 1.07832323
305 4506.118 0.28081321
306 4502.365 0.00105631
307 4499.246 0.00105595
308 4493.148 0.31071540
309 4475.557 0.00024779
310 4470.669 0.00037873
311 4456.298 0.14837011
312 4445.521 0.00099215
313 4439.954 0.37971248
314 4435.797 0.00326577
315 4431.190 0.00079395
316 4424.139 0.04730674
317 4423.413 0.03603295
318 2926.591 0.54443190
319 2922.953 0.02956075
320 2921.770 0.57429611
321 2914.453 0.00052844
322 2872.677 0.02808326
323 2870.271 0.00741301
324 2867.206 0.01453014
325 4439.616 0.00011930
326 4435.864 0.00560140
327 4432.745 0.00653713
328 4426.647 0.00016860
329 4409.056 0.02381604
330 4404.168 0.00184092
331 4389.796 0.00066921
332 4379.019 0.01045835
333 4373.453 0.00069947
334 4369.296 0.00226916
335 4364.689 0.08047749
336 4357.638 0.01565475
337 4356.912 0.01376419
338 2860.090 0.00111428
339 2856.451 0.12283756
340 2855.269 0.00505152
341 2847.952 0.15981049
342 2806.175 0.01833343
343 2803.770 0.00561784
344 2800.704 0.01762329
345 2768.344 0.00035838
346 4433.851 0.00022154
347 4430.099 0.01560645
348 4426.980 0.02432698
349 4420.881 0.00034247
350 4403.291 0.00619669
351 4398.403 0.00959939
352 4384.031 0.00523006
353 4373.254 0.03021786
354 4367.688 0.00129468
355 4363.531 0.04311281
356 4358.923 0.02393204
357 4351.873 0.03188230
358 4351.147 0.05233234
359 2854.325 0.00186341
360 2850.686 0.22093848
361 2849.503 0.00797003
362 2842.186 0.08611084
363 2800.410 0.00149768
364 2798.004 0.04519067
365 2794.939 0.01725762
366 2762.579 0.00049811
367 2696.077 0.38729437
368 4376.292 0.00328676
369 4372.540 0.00789617
370 4369.421 0.01500034
371 4363.322 0.00131604
372 4345.732 0.00188496
373 4340.844 0.01395426
374 4326.472 0.00071204
375 4315.695 0.01654870
376 4310.129 0.00269889
377 4305.972 0.01781163
378 4301.364 0.00968551
379 4294.314 0.03902426
380 4293.588 0.04849144
381 2796.766 0.00185589
382 2793.127 0.05383613
383 2791.944 0.00133152
384 2784.627 0.01954466
385 2742.851 0.00300540
386 2740.445 0.00877175
387 2737.380 0.03283519
388 2705.020 0.00161641
389 2638.518 0.06032030
390 2632.753 0.11827380
391 4372.501 0.00700506
392 4368.748 0.00957685
393 4365.629 0.00339619
394 4359.531 0.00071909
395 4341.940 0.00445235
396 4337.052 0.00301158
397 4322.681 0.00051517
398 4311.903 0.00454662
399 4306.337 0.00419896
400 4302.180 0.01769685
401 4297.573 0.00762961
402 4290.522 0.00649353
403 4289.796 0.00295176
404 2792.974 0.00134640
405 2789.336 0.16993139
406 2788.153 0.01333355
407 2780.836 0.02958210
408 2739.060 0.01611154
409 2736.654 0.05724840
410 2733.589 0.00709980
411 2701.228 0.00063199
412 2634.727 0.01717500
413 2628.962 0.12204336
414 2571.403 0.00545074
415 4364.874 0.06077669
416 4361.122 0.00129527
417 4358.003 0.00012241
418 4351.905 0.15093319
419 4334.314 0.00076203
420 4329.426 0.00097407
421 4315.054 0.01490833
422 4304.277 0.00064598
423 4298.711 0.18104000
424 4294.554 0.00107110
425 4289.947 0.00621713
426 4282.896 0.07852501
427 4282.170 0.05438058
428 2785.348 0.02775129
429 2781.709 0.00819164
430 2780.527 0.06834011
431 2773.210 0.00074434
432 2731.433 0.21300493
433 2729.028 0.06592995
434 2725.963 0.11170167
435 2693.602 0.05561851
436 2627.101 0.00130186
437 2621.335 0.00963370
438 2563.776 0.00010108
439 2559.985 0.00314630
440 4353.725 0.23734046
441 4349.973 0.00084257
442 4346.853 0.00073845
443 4340.755 0.09255714
444 4323.164 0.00064777
445 4318.277 0.00035180
446 4303.905 0.01689161
447 4293.128 0.00337628
448 4287.562 0.20079161
449 4283.404 0.00197854
450 4278.797 0.00018436
451 4271.747 0.00518686
452 4271.020 0.00507147
453 2774.198 0.31906660
454 2770.560 0.00216433
455 2769.377 0.04601174
456 2762.060 0.00087352
457 2720.284 0.02256227
458 2717.878 0.01194748
459 2714.813 0.01262066
460 2682.453 0.00233811
461 2615.951 0.00204740
462 2610.186 0.00254698
463 2552.627 0.00091952
464 2548.836 0.00248308
465 2541.209 0.01511997
466 4314.172 0.00009831
467 4310.419 0.02272893
468 4307.300 0.02728776
469 4301.202 0.00308043
470 4283.611 0.13340374
471 4278.723 0.08959533
472 4264.352 0.00141344
473 4253.574 0.01123160
474 4248.008 0.00077520
475 4243.851 0.07718721
476 4239.244 0.33732250
477 4232.193 0.03242395
478 4231.467 0.05026897
479 2734.645 0.00102483
480 2731.007 0.05887238
481 2729.824 0.00238875
482 2722.507 0.05381955
483 2680.731 0.00497991
484 2678.325 0.02834812
485 2675.260 0.01708034
486 2642.899 0.00029096
487 2576.398 0.00422335
488 2570.633 0.00942540
489 2513.074 0.00980399
490 2509.282 0.00580011
491 2501.656 0.00149733
492 2490.507 0.00095006
493 4271.330 0.00004682
494 4267.578 0.00897093
495 4264.459 0.02528182
496 4258.360 0.00003795
497 4240.770 0.07824355
498 4235.882 0.01387048
499 4221.510 0.00212929
500 4210.733 0.07387542
501 4205.167 0.00003539
502 4201.010 0.12903583
503 4196.402 0.04384376
504 4189.352 0.01203803
505 4188.626 0.01595302
506 2691.804 0.00052748
507 2688.165 0.02839762
508 2686.982 0.00192751
509 2679.665 0.00441234
510 2637.889 0.08700846
511 2635.483 0.02276506
512 2632.418 0.08529518
513 2600.058 0.00045202
514 2533.556 0.00098334
515 2527.791 0.00318709
516 2470.232 0.00470448
517 2466.441 0.03607243
518 2458.814 0.00445199
519 2447.665 0.00056114
520 2408.112 0.00717306
521 4193.400 0.00204416
522 4189.648 0.02978898
523 4186.529 0.05376184
524 4180.431 0.00141403
525 4162.840 0.02073175
526 4157.952 0.01716398
527 4143.580 0.00305953
528 4132.803 0.05376752
529 4127.237 0.00124925
530 4123.080 0.08252464
531 4118.473 0.02747683
532 4111.422 0.01160808
533 4110.696 0.00715539
534 2613.874 0.00024393
535 2610.235 0.00221794
536 2609.053 0.00029543
537 2601.736 0.05374205
538 2559.960 0.00192607
539 2557.554 0.12375302
540 2554.489 0.03784495
541 2522.128 0.00157147
542 2455.627 0.00060495
543 2449.861 0.00128369
544 2392.302 0.05133885
545 2388.511 0.00500889
546 2380.885 0.00173785
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1190 1280.938 4.82177076
1191 1214.714 0.04942939
1192 1208.749 0.00276571
1193 1197.160 0.03486569
1194 1149.259 0.01041942
1195 1086.578 0.16010583
1196 3531.238 0.01321118
1197 3527.486 0.04101844
1198 3524.367 0.03003226
1199 3518.269 0.06578461
1200 3500.678 0.02728012
1201 3495.790 0.01469853
1202 3481.419 0.02794056
1203 3470.641 0.01334985
1204 3465.075 0.00812323
1205 3460.918 0.01860346
1206 3456.311 0.00710895
1207 3449.260 0.00933014
1208 3448.534 0.01062560
1209 1951.712 0.00531405
1210 1948.073 0.00364389
1211 1946.891 0.00337233
1212 1939.574 0.00407901
1213 1897.798 0.01067563
1214 1895.392 0.00277281
1215 1892.327 0.01368829
1216 1859.966 0.00847790
1217 1793.465 0.00436753
1218 1787.699 0.00780178
1219 1730.140 0.01091368
1220 1726.349 0.03093449
1221 1718.723 0.04546130
1222 1707.573 0.00058811
1223 1668.020 0.00479056
1224 1625.178 0.02713189
1225 1547.249 0.04450217
1226 1496.277 0.05961235
1227 1469.013 0.14485205
1228 1465.683 0.03161417
1229 1423.502 0.07947036
1230 1416.111 0.00426714
1231 1396.528 0.00565642
1232 1373.497 0.00101229
1233 1306.594 0.00207325
1234 1293.368 0.00260395
1235 1289.147 0.41814999
1236 1228.210 0.26265428
1237 1161.986 0.10674541
1238 1156.021 0.02554892
1239 1144.432 0.01089736
1240 1096.531 0.34483120
1241 1033.850 6.47645402
1242 937.815 0.04484075
1243 3405.087 0.00682686
1244 3401.335 0.00868062
1245 3398.216 0.00805935
1246 3392.118 0.05324584
1247 3374.527 0.00359662
1248 3369.639 0.00405248
1249 3355.267 0.02933352
1250 3344.490 0.02048768
1251 3338.924 0.00448977
1252 3334.767 0.00779820
1253 3330.159 0.00024673
1254 3323.109 0.00959690
1255 3322.383 0.00611238
1256 1825.561 0.00116428
1257 1821.922 0.00157922
1258 1820.740 0.00401463
1259 1813.422 0.00066778
1260 1771.646 0.01257219
1261 1769.240 0.00165958
1262 1766.175 0.00083570
1263 1733.815 0.01548649
1264 1667.313 0.00110045
1265 1661.548 0.00999966
1266 1603.989 0.01660345
1267 1600.198 0.03585735
1268 1592.571 0.02839371
1269 1581.422 0.01077303
1270 1541.869 0.00508119
1271 1499.027 0.12680470
1272 1421.097 0.18353652
1273 1370.126 0.00616041
1274 1342.862 0.04624201
1275 1339.532 0.04557108
1276 1297.350 0.32150814
1277 1289.960 0.42199116
1278 1270.377 0.07491537
1279 1247.345 0.00160095
1280 1180.443 0.04030763
1281 1167.217 0.06450143
1282 1162.996 0.01873207
1283 1102.059 3.08512207
1284 1035.834 0.09233272
1285 1029.870 0.02187831
1286 1018.281 0.91651406
1287 970.380 0.03644208
1288 907.698 0.18136628
1289 811.664 0.22147687
1290 758.936 0.04992302
1291 3365.433 0.00290897
1292 3361.681 0.11499067
1293 3358.562 0.00871307
1294 3352.464 0.00415914
1295 3334.873 0.09502676
1296 3329.985 0.04698443
1297 3315.613 0.00454629
1298 3304.836 0.01163007
1299 3299.270 0.00067943
1300 3295.113 0.05337020
1301 3290.505 0.06713767
1302 3283.455 0.02517490
1303 3282.729 0.02515942
1304 1785.907 0.00174491
1305 1782.268 0.00262030
1306 1781.086 0.00086754
1307 1773.769 0.01691771
1308 1731.992 0.02669196
1309 1729.587 0.00102716
1310 1726.521 0.06462679
1311 1694.161 0.00051976
1312 1627.659 0.01041028
1313 1621.894 0.01949202
1314 1564.335 0.00504767
1315 1560.544 0.00525195
1316 1552.918 0.00128061
1317 1541.768 0.00303987
1318 1502.215 0.34960114
1319 1459.373 1.21439325
1320 1381.444 0.00269357
1321 1330.472 0.10658872
1322 1303.208 0.00814694
1323 1299.878 0.00488569
1324 1257.697 0.01729336
1325 1250.306 0.01656772
1326 1230.723 0.03557221
1327 1207.692 0.00503652
1328 1140.789 0.02569154
1329 1127.563 0.01168799
1330 1123.342 0.02604950
1331 1062.405 0.14090796
1332 996.180 0.00684734
1333 990.216 0.13867949
1334 978.627 1.45541474
1335 930.726 0.19560137
1336 868.044 0.20195595
1337 772.010 0.16119846
1338 719.282 5.34362290
1339 593.130 1.55413567
1340 3345.841 0.08654001
1341 3342.089 0.00939459
1342 3338.970 0.01476887
1343 3332.872 0.15915460
1344 3315.281 0.00499271
1345 3310.393 0.00727497
1346 3296.021 0.14318602
1347 3285.244 0.00136490
1348 3279.678 0.01565493
1349 3275.521 0.01218586
1350 3270.913 0.00554403
1351 3263.863 0.00883739
1352 3263.137 0.02121360
1353 1766.315 0.06115939
1354 1762.676 0.00816987
1355 1761.494 0.04543872
1356 1754.176 0.00178388
1357 1712.400 0.01241383
1358 1709.994 0.02034760
1359 1706.929 0.00605361
1360 1674.569 0.00088162
1361 1608.067 0.00289228
1362 1602.302 0.00114574
1363 1544.743 0.00681107
1364 1540.952 0.00495773
1365 1533.325 0.10860850
1366 1522.176 0.04103027
1367 1482.623 0.00087882
1368 1439.781 0.01246107
1369 1361.851 0.01097178
1370 1310.880 0.00325111
1371 1283.616 0.06241027
1372 1280.286 0.14937922
1373 1238.104 0.05549180
1374 1230.714 0.07925406
1375 1211.131 0.02096748
1376 1188.099 0.11248107
1377 1121.197 0.01854511
1378 1107.971 0.83621358
1379 1103.750 0.01980374
1380 1042.813 0.04093200
1381 976.588 0.54643384
1382 970.624 1.85044460
1383 959.035 0.10720183
1384 911.134 0.07629296
1385 848.452 6.32366864
1386 752.418 0.09135180
1387 699.690 8.11693537
1388 573.538 0.06898490
1389 533.884 0.00784133
1390 3343.498 0.00051583
1391 3339.745 0.02786125
1392 3336.626 0.16613057
1393 3330.528 0.00340145
1394 3312.937 0.04811487
1395 3308.049 0.03454919
1396 3293.678 0.00432216
1397 3282.900 0.03596522
1398 3277.334 0.00056122
1399 3273.177 0.02853272
1400 3268.570 0.00661494
1401 3261.519 0.04422532
1402 3260.793 0.00609236
1403 1763.971 0.00128564
1404 1760.333 0.00502580
1405 1759.150 0.00050105
1406 1751.833 0.00536535
1407 1710.057 0.02034714
1408 1707.651 0.08088340
1409 1704.586 0.00311177
1410 1672.225 0.00224534
1411 1605.724 0.00661614
1412 1599.959 0.00273667
1413 1542.400 0.01212057
1414 1538.608 0.01086929
1415 1530.982 0.01169497
1416 1519.832 0.00196395
1417 1480.279 0.00091511
1418 1437.438 0.10886485
1419 1359.508 0.02341074
1420 1308.536 0.04842862
1421 1281.272 0.73973685
1422 1277.942 0.11895787
1423 1235.761 0.00575565
1424 1228.370 0.00167015
1425 1208.787 0.06704216
1426 1185.756 0.16482875
1427 1118.854 0.05748489
1428 1105.628 23.16886319
1429 1101.406 0.03855740
1430 1040.469 0.52364557
1431 974.245 0.11195392
1432 968.280 0.00464272
1433 956.691 0.06150019
1434 908.790 0.01513366
1435 846.109 14.03110531
1436 750.074 0.14678168
1437 697.346 25.36633118
1438 571.195 0.01703089
1439 531.541 0.01668020
1440 511.949 0.00129040
1441 3293.855 0.04125288
1442 3290.102 0.01735718
1443 3286.983 0.02415418
1444 3280.885 0.10926975
1445 3263.294 0.07006839
1446 3258.406 0.02742373
1447 3244.035 0.00337402
1448 3233.257 0.00753868
1449 3227.691 0.00950974
1450 3223.534 0.01963314
1451 3218.927 0.01552930
1452 3211.876 0.01616117
1453 3211.150 0.01462155
1454 1714.328 0.01538701
1455 1710.690 0.00193581
1456 1709.507 0.01501441
1457 1702.190 0.00809962
1458 1660.414 0.00351600
1459 1658.008 0.00161871
1460 1654.943 0.00221083
1461 1622.582 0.00924167
1462 1556.081 0.00180213
1463 1550.316 0.00013822
1464 1492.757 0.23849690
1465 1488.965 0.04395622
1466 1481.339 0.10088198
1467 1470.190 0.02891129
1468 1430.636 0.02467293
1469 1387.795 0.01420175
1470 1309.865 0.00572015
1471 1258.893 0.00905840
1472 1231.629 0.00403543
1473 1228.299 0.02836909
1474 1186.118 0.03328169
1475 1178.727 0.00433635
1476 1159.144 0.02085231
1477 1136.113 0.01375526
1478 1069.211 0.04594315
1479 1055.985 0.01884660
1480 1051.763 0.72921794
1481 990.827 0.02954940
1482 924.602 0.06360732
1483 918.637 0.09440950
1484 907.048 0.15510538
1485 859.148 0.46959206
1486 796.466 0.41498034
1487 700.431 5.65281922
1488 647.703 0.03624861
1489 521.552 0.01082942
1490 481.898 0.03065455
1491 462.306 0.01002236
1492 459.962 0.07908911
1493 3257.538 0.37410198
1494 3253.786 0.01530290
1495 3250.667 0.00657529
1496 3244.569 0.45531935
1497 3226.978 0.00798014
1498 3222.090 0.00336089
1499 3207.719 0.09654107
1500 3196.941 0.00290253
1501 3191.375 0.00323457
1502 3187.218 0.01054128
1503 3182.611 0.00536444
1504 3175.560 0.02176489
1505 3174.834 0.01898786
1506 1678.012 0.15883110
1507 1674.373 0.00327239
1508 1673.191 0.11309028
1509 1665.874 0.00076406
1510 1624.098 0.00734617
1511 1621.692 0.01712100
1512 1618.627 0.00460189
1513 1586.266 0.00268248
1514 1519.765 0.00056566
1515 1513.999 0.00378239
1516 1456.440 0.54810192
1517 1452.649 0.04810575
1518 1445.023 0.25854320
1519 1433.873 0.18285853
1520 1394.320 0.00446856
1521 1351.479 0.00363116
1522 1273.549 0.12148958
1523 1222.577 0.00943659
1524 1195.313 0.00373475
1525 1191.983 0.00702086
1526 1149.802 0.01807319
1527 1142.411 0.07292785
1528 1122.828 0.32430351
1529 1099.797 0.19307580
1530 1032.894 0.11172879
1531 1019.668 0.31895607
1532 1015.447 0.02509278
1533 954.510 0.17184478
1534 888.286 0.18138369
1535 882.321 0.57271922
1536 870.732 0.66724129
1537 822.831 0.32893972
1538 760.150 0.58802318
1539 664.115 0.01934108
1540 611.387 0.03414085
1541 485.236 0.00270359
1542 445.582 0.00299127
1543 425.990 0.08659490
1544 423.646 0.00590081
1545 374.003 0.00035546
1546 3204.229 0.02740917
1547 3200.477 0.00542573
1548 3197.357 0.04641095
1549 3191.259 0.08761924
1550 3173.668 0.04812225
1551 3168.781 0.00695361
1552 3154.409 0.06021976
1553 3143.632 0.00216856
1554 3138.066 0.03769243
1555 3133.908 0.03214376
1556 3129.301 0.01138321
1557 3122.251 0.04414229
1558 3121.524 0.04806017
1559 1624.702 0.00490787
1560 1621.064 0.00057749
1561 1619.881 0.01512167
1562 1612.564 0.00351839
1563 1570.788 0.01544519
1564 1568.382 0.00463300
1565 1565.317 0.00357405
1566 1532.957 0.06031480
1567 1466.455 0.00551703
1568 1460.690 0.00339588
1569 1403.131 0.01164609
1570 1399.340 0.00729026
1571 1391.713 0.02310742
1572 1380.564 0.00627080
1573 1341.011 0.00242355
1574 1298.169 0.00795864
1575 1220.239 0.00942522
1576 1169.267 0.00953756
1577 1142.003 0.00621265
1578 1138.673 0.00147762
1579 1096.492 0.05803866
1580 1089.101 0.07627040
1581 1069.518 0.06589389
1582 1046.487 0.00425893
1583 979.585 0.00521525
1584 966.359 0.04287710
1585 962.138 0.00150962
1586 901.201 0.02752766
1587 834.976 0.96132084
1588 829.012 0.10570855
1589 817.423 0.12274053
1590 769.522 0.38561764
1591 706.840 2.03674861
1592 610.805 0.00977868
1593 558.077 0.03303057
1594 431.926 0.00811341
1595 392.272 0.01309889
1596 372.680 0.00007948
1597 370.336 0.00484853
1598 320.694 0.00045965
1599 284.377 0.00566592
1600 3163.693 0.12754478
1601 3159.941 0.03577794
1602 3156.822 0.04184734
1603 3150.724 0.18017007
1604 3133.133 0.01767941
1605 3128.245 0.09403302
1606 3113.873 0.07103739
1607 3103.096 0.00618106
1608 3097.530 0.36910309
1609 3093.373 0.03342244
1610 3088.766 0.10636962
1611 3081.715 48.54537254
1612 3080.989 1.24905225
1613 1584.167 0.06772382
1614 1580.528 0.00212235
1615 1579.346 0.03703571
1616 1572.029 0.00254242
1617 1530.252 0.01652444
1618 1527.847 0.01766490
1619 1524.781 0.00740313
1620 1492.421 0.18865611
1621 1425.919 0.00239392
1622 1420.154 0.00129075
1623 1362.595 0.00066447
1624 1358.804 0.00115693
1625 1351.178 0.00397514
1626 1340.028 0.00432153
1627 1300.475 0.03015058
1628 1257.633 0.02929294
1629 1179.704 0.63541471
1630 1128.732 0.04039236
1631 1101.468 1.77642023
1632 1098.138 0.00410784
1633 1055.957 0.11014136
1634 1048.566 0.01318188
1635 1028.983 0.05974348
1636 1005.952 0.01332009
1637 939.049 0.14501982
1638 925.823 0.00452105
1639 921.602 0.00628212
1640 860.665 0.41812070
1641 794.440 5.46216426
1642 788.476 4.04732446
1643 776.887 8.22176804
1644 728.986 0.18528675
1645 666.305 0.07585370
1646 570.270 0.02832708
1647 517.542 0.03414915
1648 391.390 0.00927427
1649 351.736 0.07286788
1650 332.144 0.01302950
1651 329.801 0.06279793
1652 280.158 0.00115190
1653 243.842 0.00336434
1654 190.532 0.00418900
1655 3143.171 0.08828984
1656 3139.419 0.03762845
1657 3136.300 0.03684059
1658 3130.202 0.02525237
1659 3112.611 0.06052753
1660 3107.723 0.14350267
1661 3093.351 0.12082136
1662 3082.574 4.39604240
1663 3077.008 0.01140359
1664 3072.851 0.12378527
1665 3068.243 0.02528024
1666 3061.193 0.74175969
1667 3060.467 0.42457200
1668 1563.645 0.02214496
1669 1560.006 0.00188692
1670 1558.824 0.00801678
1671 1551.507 0.00293274
1672 1509.730 0.00075644
1673 1507.324 0.00451710
1674 1504.259 0.10634075
1675 1471.899 0.04662041
1676 1405.397 0.00236370
1677 1399.632 0.00410369
1678 1342.073 0.00234289
1679 1338.282 0.00982825
1680 1330.655 0.00829811
1681 1319.506 0.00863822
1682 1279.953 0.01111333
1683 1237.111 0.01394053
1684 1159.182 0.03610452
1685 1108.210 0.02461523
1686 1080.946 0.00629246
1687 1077.616 0.01496542
1688 1035.435 0.02034116
1689 1028.044 4.77051908
1690 1008.461 0.01439389
1691 985.429 0.01692678
1692 918.527 0.01277691
1693 905.301 0.00760031
1694 901.080 0.02439101
1695 840.143 0.14613656
1696 773.918 1.11073869
1697 767.954 0.01351306
1698 756.365 0.56074195
1699 708.464 8.06440168
1700 645.782 0.41661272
1701 549.748 0.00443306
1702 497.020 1.16236457
1703 370.868 0.02293506
1704 331.214 0.18909215
1705 311.622 0.00127144
1706 309.279 0.04703790
1707 259.636 0.00161095
1708 223.320 0.00154098
1709 170.010 0.00118097
1710 129.474 0.00065364
IR Spectrum
Raman Spectrum
Peak Width (cm-1)

Quote

CHINESE FORTUNE COOKIE OF JAN 1 1967 SAY.... ALL THINGS ARE DIFFICULT BEFORE THEY ARE EASY. WE LEARN SO LITTLE AND FORGET SO MUCH. YOU WILL OVERCOME OBSTACLES TO ACHIEVE SUCCESS. AH SO.