WebMO Job Summary

397: C6H13FSi 1-ETHYL-1-FLUOROSILACYCLOPENTANE conformer A 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 -626.034399961 Hartree
ZPE 0.180042 Hartree
Conditions 298.150K, 1.00000 atm
Internal Energy -625.844485 Hartree
Enthalpy -625.843541 Hartree
Free Energy -625.889626 Hartree
Cv 36.792 cal/mol-K
Entropy 96.995 cal/mol-K
Dipole Moment 1.9159 Debye
Server batch (119449)
CPU time 638797.9 sec

Geometry Sequence Energies

Step Energy (au)  
0 -626.034463371  
1 -626.034463371  
2 -626.034463371  
3 -626.034463371  
Animation speed  
Loop  

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 2.09907 0.07001743853
b 1.34448 0.04484702547
c 1.11819 0.03729880356

Partial Charges

Atom Symbol Charge
1 C -0.638380  
2 Si 1.632500  
3 C -0.721930  
4 C -0.137623  
5 C -0.217516  
6 H 0.100856  
7 H 0.113414  
8 H 0.104799  
9 H 0.100756  
10 H 0.133020  
11 H 0.113591  
12 F -0.507593  
13 C -0.527763  
14 C -0.397633  
15 H 0.117113  
16 H 0.122042  
17 H 0.120262  
18 H 0.125901  
19 H 0.128154  
20 H 0.119638  
21 H 0.116391  

Vibrational Modes

Mode Symmetry Frequency (cm-1) IR Intensity Actions
1 A 60.2804 0.2698
2 A 69.4234 0.1699
3 A 143.5368 0.9090
4 A 148.0678 1.1404
5 A 208.0106 2.3926
6 A 251.5298 5.7571
7 A 263.8573 3.2868
8 A 282.8356 6.8301
9 A 329.0633 0.5099
10 A 400.2790 11.2099
11 A 498.0556 2.7802
12 A 594.0468 4.2547
13 A 646.3248 8.7194
14 A 706.1321 45.0371
15 A 708.2010 29.2468
16 A 738.5301 50.5670
17 A 785.1962 77.5180
18 A 843.3897 108.0055
19 A 850.6332 8.0361
20 A 864.0976 20.2319
21 A 930.5591 1.7161
22 A 953.2346 2.1552
23 A 979.3081 1.8086
24 A 981.0415 9.8749
25 A 1021.1529 6.8006
26 A 1023.9968 13.5960
27 A 1052.3691 21.5408
28 A 1105.0152 44.3314
29 A 1182.1843 3.6573
30 A 1225.6117 0.4858
31 A 1263.0916 1.4557
32 A 1275.6610 3.5415
33 A 1283.5845 6.8914
34 A 1288.0464 2.5301
35 A 1345.3413 1.5014
36 A 1351.0308 0.8292
37 A 1417.8865 1.0863
38 A 1450.2835 7.7523
39 A 1453.8366 8.4974
40 A 1456.9399 6.9459
41 A 1496.9203 4.3309
42 A 1503.0585 7.8128
43 A 1506.5584 0.9403
44 A 1510.4754 9.1394
45 A 3007.6575 17.4491
46 A 3012.2747 11.4887
47 A 3014.2264 28.8597
48 A 3019.4090 15.2347
49 A 3022.2588 40.4166
50 A 3027.6155 14.0136
51 A 3043.0795 3.7192
52 A 3053.1705 47.2141
53 A 3058.3537 47.8862
54 A 3076.4673 36.1820
55 A 3080.4841 23.0491
56 A 3082.3893 31.8175
57 A 3083.4186 18.7250
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 2949.586 27.42880138
2 2922.668 11.41192366
3 2973.847 22.58464571
4 2945.545 24.62209828
5 2912.818 58.73781823
6 2919.755 44.33782208
7 2895.639 3.09723872
8 2901.241 17.51557669
9 2869.787 2.73355381
10 2906.467 7.49581992
11 2834.930 7.14730518
12 2909.254 13.38557284
13 2850.470 19.56152045
14 1467.375 4.13210983
15 1478.602 2.27353472
16 1471.117 4.53217409
17 1451.219 4.38506763
18 1429.427 17.08769204
19 1418.613 10.75334174
20 1423.219 3.71594349
21 1389.388 0.89052119
22 1320.577 0.20584814
23 1316.145 1.20236011
24 1263.619 1.64094344
25 1252.727 3.60368487
26 1248.004 2.42155135
27 1236.152 1.12387818
28 1201.541 0.35198092
29 1154.582 1.81748790
30 1086.321 22.61490107
31 1037.013 9.02284528
32 996.682 13.49609023
33 1003.905 8.08774716
34 964.984 5.90254323
35 960.631 4.96303649
36 936.890 1.37727369
37 919.872 0.32589097
38 846.665 21.77217094
39 833.891 10.28778206
40 827.852 73.79118038
41 773.037 72.74580923
42 727.522 71.94654492
43 695.431 33.04186425
44 689.887 36.85756854
45 636.657 7.93844822
46 586.939 1.96191263
47 496.841 2.90898461
48 398.264 4.36984389
49 324.511 0.26130604
50 290.437 9.33403939
51 245.972 7.38056590
52 234.990 1.03434813
53 201.724 0.94514105
54 160.494 3.72577992
55 116.551 0.58799279
56 41.114 0.37745473
57 23.337 0.10194349
58 5813.211 0.66600549
59 5801.745 0.25032196
60 5868.528 0.09105751
61 5830.736 0.26433897
62 5843.199 0.00349796
63 5788.551 0.42544456
64 5783.733 0.09976087
65 5705.004 0.36511664
66 5738.106 0.12298177
67 5755.689 0.13944245
68 5717.445 0.29446843
69 5656.526 0.53361487
70 5663.917 0.13323381
71 2960.262 16.80316314
72 2935.810 9.12604826
73 2952.112 9.77102805
74 2926.555 18.54116755
75 2821.098 12.88808738
76 2809.955 1.77470120
77 2822.829 1.48398705
78 2750.564 1.19065953
79 2633.944 0.05412126
80 2620.300 0.30286645
81 2524.126 0.01251335
82 2502.240 0.03442936
83 2486.348 0.01131395
84 2468.445 0.02291260
85 2400.727 0.06495251
86 2305.393 0.00479358
87 2170.725 0.04576985
88 2073.366 0.03151697
89 1987.772 0.00974919
90 1990.500 0.02223957
91 1928.727 0.06328426
92 1929.654 0.03682452
93 1872.018 0.00070039
94 1839.960 0.00570629
95 1691.668 0.03164423
96 1665.592 0.00515912
97 1653.462 0.14490918
98 1542.955 0.16281709
99 1450.388 0.25885635
100 1389.384 0.21759444
101 1379.939 0.13160695
102 1273.548 2.17648448
103 1173.067 0.58528236
104 994.154 0.16205402
105 795.940 0.04965062
106 644.627 0.13909987
107 549.555 0.06422682
108 506.285 0.00655440
109 479.184 0.00381495
110 382.487 0.01245653
111 309.400 0.06227864
112 243.877 0.00329240
113 78.638 0.00036155
114 51.944 0.00073952
115 6165.808 0.01841931
116 6163.903 0.09614542
117 6162.873 0.20818358
118 6159.886 0.01386076
119 6158.857 0.01541477
120 6156.951 0.21204997
121 6141.772 0.03656668
122 6140.743 0.04505554
123 6138.838 0.01977575
124 6134.821 0.00067374
125 6136.589 0.00466422
126 6135.560 0.00619936
127 6133.655 0.00412474
128 6129.638 0.00010272
129 6111.524 0.29632046
130 6126.498 0.00929783
131 6125.469 0.05206908
132 6123.564 0.15982368
133 6119.547 0.04265783
134 6101.433 0.00012957
135 6096.250 0.00058712
136 6111.034 0.00200932
137 6110.005 0.16158619
138 6108.100 0.05695434
139 6104.083 0.00572749
140 6085.969 0.09040648
141 6080.786 0.08323382
142 6070.695 0.00034636
143 6105.677 0.00987623
144 6104.648 0.00261826
145 6102.743 0.03006878
146 6098.726 0.13833485
147 6080.613 0.01978568
148 6075.429 0.01202527
149 6065.338 0.06919744
150 6049.874 0.00110854
151 6102.828 0.12612658
152 6101.798 0.00159677
153 6099.893 0.02204528
154 6095.876 0.00633992
155 6077.763 0.10319297
156 6072.579 0.07264548
157 6062.489 0.00727075
158 6047.025 0.00111611
159 6041.668 0.03588908
160 6097.645 0.03521650
161 6096.616 0.00979122
162 6094.711 0.01091738
163 6090.694 0.00005341
164 6072.580 0.12403716
165 6067.397 0.30404878
166 6057.306 0.00096585
167 6041.842 0.02595416
168 6036.485 0.00579157
169 6033.635 0.10941254
170 6095.693 0.00252962
171 6094.664 0.00425212
172 6092.759 0.02070388
173 6088.742 0.04358456
174 6070.628 0.00027991
175 6065.445 0.00061618
176 6055.354 0.48185709
177 6039.890 0.00071932
178 6034.534 0.05032091
179 6031.684 0.00290342
180 6026.501 0.00151727
181 6091.076 0.01207915
182 6090.047 0.03275954
183 6088.142 0.00182615
184 6084.125 0.00130762
185 6066.011 0.27841912
186 6060.828 0.08261912
187 6050.737 0.00004087
188 6035.273 0.00317451
189 6029.916 0.00010497
190 6027.066 0.01263565
191 6021.884 0.17376639
192 6019.932 0.00100648
193 4593.894 0.00735445
194 4592.865 0.03851949
195 4590.960 0.09515662
196 4586.943 0.12323833
197 4568.829 0.00192270
198 4563.646 0.00152506
199 4553.555 0.04551845
200 4538.091 0.00279183
201 4532.734 0.12751912
202 4529.884 0.01300487
203 4524.702 0.00044641
204 4522.750 0.01214273
205 4518.133 0.00101237
206 4589.977 0.01304358
207 4588.948 0.01539546
208 4587.042 0.01933198
209 4583.026 0.10216110
210 4564.912 0.10922835
211 4559.729 0.13717177
212 4549.638 0.00892984
213 4534.174 0.02289877
214 4528.817 0.08358863
215 4525.967 0.00771738
216 4520.785 0.09786266
217 4518.833 0.00102066
218 4514.216 0.02967550
219 3017.034 8.09504092
220 4586.477 0.01412140
221 4585.448 0.01965402
222 4583.543 0.05109978
223 4579.526 0.21420615
224 4561.412 0.04704709
225 4556.229 0.06057641
226 4546.138 0.02536634
227 4530.674 0.00167030
228 4525.317 0.10920053
229 4522.467 0.07549724
230 4517.285 0.06934530
231 4515.333 0.00485010
232 4510.716 0.00215981
233 3013.534 6.01636749
234 3009.617 28.28414946
235 4580.339 0.00153922
236 4579.310 0.00121561
237 4577.404 0.01193139
238 4573.388 0.01603991
239 4555.274 0.11860245
240 4550.091 0.20069236
241 4540.000 0.00248833
242 4524.536 0.04147472
243 4519.179 0.02106150
244 4516.329 0.04848805
245 4511.147 0.24250173
246 4509.195 0.00107324
247 4504.578 0.34491946
248 3007.396 3.62454889
249 3003.479 21.75840372
250 2999.979 10.27626797
251 4540.359 0.01224777
252 4539.329 0.00362128
253 4537.424 0.00258566
254 4533.407 0.00040651
255 4515.294 0.00082640
256 4510.110 0.00074268
257 4500.019 0.30011684
258 4484.555 0.00127159
259 4479.199 0.00839895
260 4476.349 0.00586978
261 4471.166 0.00199543
262 4469.215 0.17348637
263 4464.597 0.00013792
264 2967.415 0.00307907
265 2963.498 0.03363009
266 2959.998 0.16681123
267 2953.860 0.03594170
268 4537.255 0.00150359
269 4536.226 0.18028068
270 4534.321 0.04475766
271 4530.304 0.00940208
272 4512.190 0.02480778
273 4507.007 0.01429938
274 4496.916 0.00590220
275 4481.452 0.24234814
276 4476.095 0.01091519
277 4473.246 0.00290833
278 4468.063 0.03484114
279 4466.111 0.00362350
280 4461.494 0.02719844
281 2964.312 0.12393531
282 2960.395 0.70756220
283 2956.895 0.28704662
284 2950.757 0.23167129
285 2910.777 0.08934920
286 4533.702 0.25525836
287 4532.673 0.00412805
288 4530.768 0.02967790
289 4526.751 0.00147763
290 4508.637 0.02269136
291 4503.454 0.01121045
292 4493.363 0.00764615
293 4477.899 0.00164214
294 4472.542 0.01288721
295 4469.692 0.14578980
296 4464.510 0.07193262
297 4462.558 0.00614778
298 4457.941 0.00303076
299 2960.759 0.01201542
300 2956.842 0.67655612
301 2953.342 0.09205868
302 2947.204 0.16331949
303 2907.223 0.22732536
304 2904.120 0.02225466
305 4501.305 0.01523286
306 4500.276 0.03928733
307 4498.371 0.14639897
308 4494.354 0.37773205
309 4476.240 0.00203497
310 4471.057 0.00020819
311 4460.966 0.14819656
312 4445.502 0.00094608
313 4440.145 0.24597682
314 4437.295 0.05255479
315 4432.113 0.00559289
316 4430.161 0.09681144
317 4425.544 0.00135496
318 2928.362 0.51800740
319 2924.445 0.18874770
320 2920.945 0.48181054
321 2914.807 0.02914200
322 2874.826 0.03513524
323 2871.723 0.02754834
324 2868.170 0.00965818
325 4434.449 0.00527709
326 4433.420 0.00611572
327 4431.515 0.00121421
328 4427.498 0.00099779
329 4409.385 0.02466664
330 4404.201 0.00149845
331 4394.110 0.00037061
332 4378.646 0.01217418
333 4373.290 0.00175795
334 4370.440 0.00134543
335 4365.257 0.08089934
336 4363.306 0.00080029
337 4358.688 0.02474218
338 2861.506 0.00100632
339 2857.589 0.09480009
340 2854.089 0.03845411
341 2847.951 0.14760563
342 2807.971 0.00229162
343 2804.867 0.01673645
344 2801.314 0.01958568
345 2768.917 0.00051195
346 4428.760 0.01514728
347 4427.731 0.01506383
348 4425.825 0.01182951
349 4421.809 0.00021180
350 4403.695 0.00550078
351 4398.512 0.01027259
352 4388.421 0.00611519
353 4372.957 0.03035003
354 4367.600 0.00230820
355 4364.750 0.03801199
356 4359.568 0.02525344
357 4357.616 0.00390961
358 4352.999 0.07971948
359 2855.817 0.00398616
360 2851.900 0.16987996
361 2848.400 0.05851567
362 2842.262 0.08421143
363 2802.281 0.00066599
364 2799.178 0.03213629
365 2795.625 0.02935481
366 2763.228 0.00019524
367 2696.372 0.37260781
368 4371.465 0.00873915
369 4370.436 0.00861597
370 4368.530 0.00826940
371 4364.514 0.00391957
372 4346.400 0.00195025
373 4341.217 0.01271002
374 4331.126 0.00354232
375 4315.662 0.01391999
376 4310.305 0.01477837
377 4307.455 0.01154603
378 4302.273 0.01052322
379 4300.321 0.00251979
380 4295.704 0.08245602
381 2798.522 0.00089592
382 2794.605 0.04729405
383 2791.105 0.01109006
384 2784.967 0.02316355
385 2744.986 0.01303949
386 2741.883 0.01137458
387 2738.330 0.02719981
388 2705.933 0.00235661
389 2639.077 0.05821445
390 2633.388 0.11028187
391 4367.003 0.00664578
392 4365.974 0.00323204
393 4364.069 0.00071970
394 4360.052 0.00403888
395 4341.938 0.00349392
396 4336.755 0.00117927
397 4326.664 0.00280617
398 4311.200 0.00402963
399 4305.843 0.00803499
400 4302.993 0.00990101
401 4297.811 0.01045686
402 4295.859 0.00134644
403 4291.242 0.00140235
404 2794.060 0.00281051
405 2790.143 0.14115143
406 2786.643 0.03558380
407 2780.505 0.02818787
408 2740.524 0.01441794
409 2737.421 0.04340429
410 2733.868 0.02924563
411 2701.471 0.00082243
412 2634.615 0.01849240
413 2628.926 0.12192852
414 2571.631 0.00589980
415 4359.080 0.01273003
416 4358.050 0.01908605
417 4356.145 0.03844633
418 4352.128 0.13139171
419 4334.015 0.00226704
420 4328.831 0.00898093
421 4318.740 0.01146974
422 4303.276 0.01006506
423 4297.920 0.16549113
424 4295.070 0.03069236
425 4289.887 0.00059866
426 4287.936 0.08757531
427 4283.318 0.00513554
428 2786.136 0.03125360
429 2782.219 0.00614462
430 2778.719 0.07768335
431 2772.581 0.00551462
432 2732.601 0.25606390
433 2729.498 0.00247317
434 2725.944 0.01171383
435 2693.547 0.05397469
436 2626.692 0.00488675
437 2621.002 0.00765062
438 2563.707 0.00596421
439 2559.245 0.00323359
440 4346.510 0.00939383
441 4345.481 0.05484483
442 4343.576 0.16784217
443 4339.559 0.07799625
444 4321.445 0.00123369
445 4316.262 0.00045889
446 4306.171 0.01474610
447 4290.707 0.00020678
448 4285.350 0.20438438
449 4282.501 0.02969891
450 4277.318 0.00139244
451 4275.366 0.00486466
452 4270.749 0.00054041
453 2773.567 0.26004637
454 2769.650 0.00515270
455 2766.150 0.01361280
456 2760.012 0.00070634
457 2720.032 0.02726305
458 2716.928 0.00142794
459 2713.375 0.00205772
460 2680.978 0.00497513
461 2614.122 0.00037728
462 2608.433 0.00327145
463 2551.138 0.00093445
464 2546.676 0.00112546
465 2538.753 0.00684534
466 4309.030 0.02382596
467 4308.001 0.02257401
468 4306.096 0.00579493
469 4302.079 0.00056455
470 4283.965 0.13553222
471 4278.782 0.08884750
472 4268.691 0.00205945
473 4253.227 0.01187692
474 4247.871 0.00237334
475 4245.021 0.04286483
476 4239.838 0.37502087
477 4237.886 0.00220387
478 4233.269 0.05869729
479 2736.087 0.00123113
480 2732.170 0.04059218
481 2728.670 0.01849418
482 2722.532 0.05200101
483 2682.552 0.00094947
484 2679.448 0.02664883
485 2675.895 0.02936133
486 2643.498 0.00023153
487 2576.643 0.00400980
488 2570.953 0.01029988
489 2513.658 0.00679983
490 2509.196 0.00604011
491 2501.273 0.00326911
492 2488.703 0.00017865
493 4265.603 0.00805371
494 4264.574 0.01293136
495 4262.668 0.00799938
496 4258.652 0.00015578
497 4240.538 0.07801477
498 4235.355 0.01385427
499 4225.264 0.00169327
500 4209.800 0.06333159
501 4204.443 0.01162931
502 4201.593 0.09251318
503 4196.411 0.06381738
504 4194.459 0.00275665
505 4189.842 0.02367426
506 2692.660 0.00120639
507 2688.743 0.02212398
508 2685.243 0.00781508
509 2679.105 0.00498818
510 2639.124 0.00649264
511 2636.021 0.08966416
512 2632.468 0.09862527
513 2600.071 0.00087430
514 2533.215 0.00156320
515 2527.526 0.00266636
516 2470.231 0.00442158
517 2465.769 0.03632026
518 2457.845 0.00060829
519 2445.276 0.00014746
520 2407.796 0.00784470
521 4188.434 0.03451492
522 4187.405 0.03939015
523 4185.499 0.01807787
524 4181.483 0.00120422
525 4163.369 0.01814537
526 4158.186 0.01687329
527 4148.095 0.00012676
528 4132.631 0.05119125
529 4127.274 0.00521819
530 4124.424 0.07025156
531 4119.242 0.03119924
532 4117.290 0.00082974
533 4112.673 0.00998920
534 2615.491 0.00064090
535 2611.574 0.00218738
536 2608.074 0.00249395
537 2601.935 0.05108564
538 2561.955 0.00360392
539 2558.852 0.08529315
540 2555.299 0.07892054
541 2522.902 0.00042500
542 2456.046 0.00064993
543 2450.357 0.00107276
544 2393.062 0.05082801
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1189 1341.445 0.07382543
1190 1283.252 0.41893611
1191 1236.586 0.00880319
1192 1206.257 0.00426754
1193 1204.188 0.00540633
1194 1144.380 0.04966739
1195 1092.102 0.11464414
1196 3483.698 0.05531303
1197 3482.668 0.01865552
1198 3480.763 0.01253037
1199 3476.746 0.01010683
1200 3458.633 0.02678918
1201 3453.449 0.01515484
1202 3443.359 0.00397707
1203 3427.895 0.01867855
1204 3422.538 0.01050861
1205 3419.688 0.00861244
1206 3414.505 0.00289354
1207 3412.554 0.02031348
1208 3407.936 0.00511375
1209 1910.754 0.00024017
1210 1906.837 0.00265303
1211 1903.337 0.00458279
1212 1897.199 0.00379581
1213 1857.219 0.00793144
1214 1854.116 0.01249666
1215 1850.562 0.00782296
1216 1818.165 0.00037808
1217 1751.310 0.00509752
1218 1745.620 0.01165965
1219 1688.325 0.01198623
1220 1683.863 0.02103396
1221 1675.940 0.16704059
1222 1663.371 0.00210403
1223 1625.891 0.01151489
1224 1582.463 0.02891647
1225 1505.294 0.75304643
1226 1452.648 1.39281493
1227 1424.276 0.00132048
1228 1421.432 0.09705887
1229 1381.320 0.01288143
1230 1379.587 0.03687197
1231 1353.514 0.00308265
1232 1330.838 0.00079297
1233 1264.377 0.00609827
1234 1250.912 0.00329829
1235 1243.669 0.01877180
1236 1185.475 1.10613914
1237 1138.809 0.66367764
1238 1108.480 3.28168678
1239 1106.411 2.69374495
1240 1046.604 0.09373523
1241 994.326 0.17065046
1242 898.335 0.10453572
1243 3412.482 0.02307521
1244 3411.453 0.02908723
1245 3409.547 0.04767977
1246 3405.531 0.08560669
1247 3387.417 0.00115303
1248 3382.234 0.00261703
1249 3372.143 0.00306305
1250 3356.679 0.01025437
1251 3351.322 0.01330109
1252 3348.472 0.01557248
1253 3343.290 0.00194335
1254 3341.338 0.01283983
1255 3336.721 0.00165532
1256 1839.539 0.00351008
1257 1835.622 0.00064946
1258 1832.122 0.00915562
1259 1825.984 0.00149536
1260 1786.003 0.00489735
1261 1782.900 0.02668821
1262 1779.347 0.01686187
1263 1746.950 0.02341615
1264 1680.094 0.00452494
1265 1674.405 0.00087714
1266 1617.110 0.00498017
1267 1612.648 0.00417614
1268 1604.724 0.00557230
1269 1592.155 0.01603794
1270 1554.675 0.00138528
1271 1511.248 1.05374108
1272 1434.078 0.05030553
1273 1381.432 0.00466756
1274 1353.060 0.03811707
1275 1350.216 0.75216096
1276 1310.105 0.07934796
1277 1308.371 0.16854564
1278 1282.298 1.88530836
1279 1259.622 0.17486411
1280 1193.161 0.00088711
1281 1179.696 0.67117913
1282 1172.453 0.00518710
1283 1114.259 0.33287443
1284 1067.593 0.01728211
1285 1037.264 0.10097443
1286 1035.195 0.03567344
1287 975.388 0.69598491
1288 923.110 0.19831510
1289 827.119 0.09822606
1290 729.342 0.46457088
1291 3366.254 0.05959570
1292 3365.225 0.02619018
1293 3363.320 0.00581243
1294 3359.303 0.01291685
1295 3341.189 0.04063320
1296 3336.006 0.02852938
1297 3325.915 0.07835353
1298 3310.451 0.01653127
1299 3305.094 0.00126855
1300 3302.245 0.02273684
1301 3297.062 0.02573312
1302 3295.110 0.00315020
1303 3290.493 0.01988506
1304 1793.311 0.00524069
1305 1789.394 0.00282116
1306 1785.894 0.00624865
1307 1779.756 0.00481739
1308 1739.775 0.01904164
1309 1736.672 0.01368117
1310 1733.119 0.03408032
1311 1700.722 0.00021254
1312 1633.866 0.00491505
1313 1628.177 0.01415096
1314 1570.882 0.00666827
1315 1566.420 0.00588948
1316 1558.497 0.00379533
1317 1545.927 0.00086485
1318 1508.447 0.40714047
1319 1465.020 0.11072854
1320 1387.851 0.03874205
1321 1335.205 0.07493351
1322 1306.832 0.00163308
1323 1303.988 0.01409019
1324 1263.877 0.29159109
1325 1262.144 0.02946575
1326 1236.070 0.04681507
1327 1213.395 0.00838896
1328 1146.933 0.02157877
1329 1133.469 0.01886803
1330 1126.225 0.03197949
1331 1068.032 0.01647834
1332 1021.366 1.32006704
1333 991.037 0.07705411
1334 988.968 0.24222885
1335 929.160 1.19521300
1336 876.882 0.14032812
1337 780.891 0.06670294
1338 683.115 0.56136819
1339 611.899 0.06230907
1340 3347.276 0.04369652
1341 3346.247 0.00721324
1342 3344.341 0.01785746
1343 3340.325 0.04442758
1344 3322.211 0.07937336
1345 3317.028 0.04163887
1346 3306.937 0.08104663
1347 3291.473 0.01367162
1348 3286.116 0.00873442
1349 3283.266 0.03561270
1350 3278.084 0.04494410
1351 3276.132 0.00768580
1352 3271.515 0.04420904
1353 1774.333 0.00894516
1354 1770.416 0.00479861
1355 1766.916 0.00643876
1356 1760.778 0.01161811
1357 1720.797 0.01976166
1358 1717.694 0.00309663
1359 1714.141 0.04003414
1360 1681.744 0.00057417
1361 1614.888 0.00730911
1362 1609.199 0.01362274
1363 1551.904 0.00619693
1364 1547.442 0.00444075
1365 1539.518 0.02532429
1366 1526.949 0.00365446
1367 1489.469 0.02409205
1368 1446.042 1.74794655
1369 1368.873 0.03842012
1370 1316.226 0.02363183
1371 1287.854 0.04115321
1372 1285.010 0.29960765
1373 1244.899 0.03283617
1374 1243.165 0.02691765
1375 1217.092 0.09072859
1376 1194.416 0.02957488
1377 1127.955 0.03160287
1378 1114.490 0.04880221
1379 1107.247 0.00899984
1380 1049.054 0.66221558
1381 1002.387 0.05277756
1382 972.058 0.35687687
1383 969.989 0.11007093
1384 910.182 0.02008657
1385 857.904 1.07129993
1386 761.913 0.23561247
1387 664.136 0.10615688
1388 592.921 1.89220506
1389 546.693 0.01990689
1390 3334.948 0.01802976
1391 3333.919 0.06733150
1392 3332.014 0.03695545
1393 3327.997 0.03617432
1394 3309.883 0.02861869
1395 3304.700 0.02628485
1396 3294.609 0.02681285
1397 3279.145 0.02521942
1398 3273.789 0.00081386
1399 3270.939 0.01448399
1400 3265.756 0.00540008
1401 3263.804 0.00554631
1402 3259.187 0.02695265
1403 1762.005 0.00512469
1404 1758.088 0.00431865
1405 1754.588 0.00282567
1406 1748.450 0.00423350
1407 1708.470 0.00832007
1408 1705.366 0.04781182
1409 1701.813 0.00619144
1410 1669.416 0.00380166
1411 1602.561 0.00638248
1412 1596.871 0.00087710
1413 1539.576 0.00525392
1414 1535.114 0.00835458
1415 1527.191 0.04652608
1416 1514.621 0.25182003
1417 1477.141 0.00190853
1418 1433.714 0.06821454
1419 1356.545 0.03307385
1420 1303.899 0.04165692
1421 1275.527 0.09133913
1422 1272.683 0.32709571
1423 1232.571 0.01675926
1424 1230.838 0.01654663
1425 1204.764 0.05161700
1426 1182.089 0.28452730
1427 1115.627 0.11057874
1428 1102.163 1.72687939
1429 1094.919 0.03157679
1430 1036.726 0.47763290
1431 990.060 0.35110831
1432 959.731 0.03592533
1433 957.662 0.46065523
1434 897.855 0.05630066
1435 845.577 0.24149110
1436 749.585 0.63200159
1437 651.809 0.43608327
1438 580.593 0.17567083
1439 534.365 0.00048836
1440 515.387 0.01738738
1441 3291.429 0.03339250
1442 3290.400 0.09184014
1443 3288.495 0.17384210
1444 3284.478 0.25397791
1445 3266.364 0.05258241
1446 3261.181 0.01727956
1447 3251.090 0.01111197
1448 3235.626 0.00655287
1449 3230.269 0.00785617
1450 3227.420 0.01808834
1451 3222.237 0.00989180
1452 3220.285 0.01571734
1453 3215.668 0.02034940
1454 1718.486 0.05067365
1455 1714.569 0.01507338
1456 1711.069 0.02823314
1457 1704.931 0.00339246
1458 1664.951 0.00090948
1459 1661.847 0.00044926
1460 1658.294 0.00265442
1461 1625.897 0.00033071
1462 1559.041 0.00051263
1463 1553.352 0.00013935
1464 1496.057 2.13211270
1465 1491.595 0.01417780
1466 1483.672 0.19119558
1467 1471.102 0.14658323
1468 1433.622 0.00783746
1469 1390.195 0.01409232
1470 1313.026 0.00289935
1471 1260.380 0.11672799
1472 1232.007 0.00970389
1473 1229.163 0.00970175
1474 1189.052 0.02285673
1475 1187.319 0.00453351
1476 1161.245 0.00393196
1477 1138.570 0.00983038
1478 1072.108 0.06635885
1479 1058.644 0.13968151
1480 1051.400 2.40586908
1481 993.207 0.00774703
1482 946.541 0.00505160
1483 916.212 0.03178932
1484 914.143 0.04288239
1485 854.335 1.98634123
1486 802.057 0.03694479
1487 706.066 17.62592775
1488 608.290 0.00182136
1489 537.074 0.00150080
1490 490.846 0.02081669
1491 471.868 0.00574872
1492 459.540 0.00526861
1493 3231.486 0.05516811
1494 3230.457 0.03922461
1495 3228.552 0.19989790
1496 3224.535 0.16035385
1497 3206.421 0.02186956
1498 3201.238 0.00820504
1499 3191.147 0.04628320
1500 3175.683 0.00678735
1501 3170.327 0.02147887
1502 3167.477 0.02590870
1503 3162.294 0.02020169
1504 3160.342 0.02461651
1505 3155.725 0.00603922
1506 1658.543 0.03772100
1507 1654.626 0.01487732
1508 1651.126 0.01664483
1509 1644.988 0.00756019
1510 1605.008 0.01610793
1511 1601.904 0.00386124
1512 1598.351 0.01092218
1513 1565.954 0.02780532
1514 1499.099 0.22171375
1515 1493.409 0.20170112
1516 1436.114 0.00113520
1517 1431.652 0.01035560
1518 1423.729 0.05015107
1519 1411.159 0.01741814
1520 1373.679 0.01168043
1521 1330.252 0.01027784
1522 1253.083 0.01238836
1523 1200.437 0.00479639
1524 1172.065 0.01039776
1525 1169.221 0.00455382
1526 1129.109 0.02523738
1527 1127.376 0.03057018
1528 1101.302 10.87972127
1529 1078.627 0.02409511
1530 1012.165 0.15314097
1531 998.701 0.03881416
1532 991.458 0.00892924
1533 933.264 0.09493265
1534 886.598 0.61249040
1535 856.269 1.58058422
1536 854.200 0.26431666
1537 794.393 0.81508514
1538 742.115 0.40103396
1539 646.123 0.00416549
1540 548.347 0.03854124
1541 477.131 0.02356956
1542 430.903 0.02801302
1543 411.925 0.00031425
1544 399.598 0.01078367
1545 356.078 0.00370364
1546 3226.955 0.00752241
1547 3225.926 0.06782157
1548 3224.021 0.22086472
1549 3220.004 0.15511979
1550 3201.890 0.04214547
1551 3196.707 0.01515554
1552 3186.616 0.05049977
1553 3171.152 0.00588625
1554 3165.796 0.02987856
1555 3162.946 0.01714915
1556 3157.763 0.01447321
1557 3155.811 0.02677774
1558 3151.194 0.00064825
1559 1654.012 0.03170993
1560 1650.095 0.00843926
1561 1646.595 0.01647752
1562 1640.457 0.00419259
1563 1600.477 0.01839992
1564 1597.373 0.01552357
1565 1593.820 0.00136439
1566 1561.423 0.01840690
1567 1494.568 0.02887250
1568 1488.878 0.06050961
1569 1431.583 0.01061647
1570 1427.121 0.04422641
1571 1419.198 0.20529018
1572 1406.628 0.01605515
1573 1369.148 0.00453471
1574 1325.721 0.00127863
1575 1248.552 0.03644119
1576 1195.906 0.00173519
1577 1167.534 0.00027359
1578 1164.690 0.00623046
1579 1124.578 0.00543413
1580 1122.845 0.05443479
1581 1096.771 0.74645580
1582 1074.096 0.02515980
1583 1007.634 0.00969836
1584 994.170 0.06596631
1585 986.926 0.18659448
1586 928.733 0.19669834
1587 882.067 0.31432835
1588 851.738 5.77412905
1589 849.669 7.01866497
1590 789.862 3.78543566
1591 737.584 0.24478746
1592 641.592 0.01915244
1593 543.816 0.01828443
1594 472.600 0.01744840
1595 426.372 0.00795296
1596 407.394 0.00807606
1597 395.067 0.00654609
1598 351.547 0.00039024
1599 291.605 0.02431011
1600 3152.842 0.01939223
1601 3151.813 0.02848824
1602 3149.908 0.17586620
1603 3145.891 0.20676772
1604 3127.777 0.03500367
1605 3122.594 0.01697944
1606 3112.503 0.04932200
1607 3097.039 0.01572478
1608 3091.682 1.88792128
1609 3088.832 0.37823449
1610 3083.650 0.01966002
1611 3081.698 3.58374514
1612 3077.081 0.12242988
1613 1579.899 0.09089948
1614 1575.982 0.01020825
1615 1572.482 0.02041903
1616 1566.344 0.00192039
1617 1526.363 0.02161386
1618 1523.260 0.01377345
1619 1519.707 0.01263006
1620 1487.310 0.27411788
1621 1420.454 0.00048248
1622 1414.765 0.00435816
1623 1357.470 0.00113172
1624 1353.008 0.00176634
1625 1345.084 0.00406843
1626 1332.515 0.01802297
1627 1295.035 0.01605749
1628 1251.608 0.00452365
1629 1174.439 0.00615052
1630 1121.793 0.00725544
1631 1093.420 0.00174268
1632 1090.576 0.01152217
1633 1050.465 6.97419518
1634 1048.732 0.30441139
1635 1022.658 0.00616574
1636 999.983 0.00327291
1637 933.521 0.00757151
1638 920.057 0.00166281
1639 912.813 0.00313970
1640 854.620 0.01251520
1641 807.954 0.18810830
1642 777.624 0.08313446
1643 775.556 0.85619036
1644 715.748 0.01580688
1645 663.470 0.01239744
1646 567.479 0.00181180
1647 469.702 0.00236513
1648 398.487 5.41457495
1649 352.259 0.03476354
1650 333.281 0.09495252
1651 320.953 0.00463005
1652 277.434 0.00447062
1653 217.491 0.00730789
1654 212.960 0.00076076
1655 3143.699 0.03925928
1656 3142.670 0.08097101
1657 3140.764 0.01991325
1658 3136.748 0.05681194
1659 3118.634 0.06499220
1660 3113.451 0.16667852
1661 3103.360 0.01227771
1662 3087.896 0.06834253
1663 3082.539 1.71098741
1664 3079.689 0.47021712
1665 3074.507 0.11594197
1666 3072.555 0.08668512
1667 3067.938 0.05973828
1668 1570.756 0.01276529
1669 1566.839 0.00564677
1670 1563.339 0.00961363
1671 1557.201 0.00358827
1672 1517.220 0.00594046
1673 1514.117 0.02244725
1674 1510.564 0.01162745
1675 1478.167 0.02291226
1676 1411.311 0.00706766
1677 1405.622 0.00086324
1678 1348.327 0.04100589
1679 1343.865 0.01269869
1680 1335.941 0.00447016
1681 1323.372 0.00320357
1682 1285.892 0.86301920
1683 1242.465 0.01622119
1684 1165.296 0.05709435
1685 1112.650 0.02705327
1686 1084.277 0.05359726
1687 1081.433 0.01848331
1688 1041.322 0.02146051
1689 1039.588 0.04910692
1690 1013.515 0.00796132
1691 990.840 0.16786840
1692 924.378 0.20891995
1693 910.914 0.00378257
1694 903.670 0.04557077
1695 845.477 13.90756969
1696 798.811 0.03933301
1697 768.481 0.33351538
1698 766.413 3.02228260
1699 706.605 0.19834573
1700 654.327 0.19878112
1701 558.336 0.00680771
1702 460.559 0.01112191
1703 389.344 1.69907376
1704 343.116 0.01572386
1705 324.138 0.15553980
1706 311.810 0.01563747
1707 268.291 0.00214642
1708 208.348 0.00628273
1709 203.817 0.00033744
1710 129.704 0.00043228
IR Spectrum
Raman Spectrum
Peak Width (cm-1)

Quote

NOBODY LOSES ALL THE TIME I HAD AN UNCLE NAMED SOL WHO WAS A BORN FAILURE AND NEARLY EVERYBODY SAID HE SHOULD HAVE GONE INTO VAUDEVILLE PERHAPS BECAUSE MY UNCLE SOL COULD SING MCCANN HE WAS A DIVER ON XMAS EVE LIKE HELL ITSELF WHICH MAY OR MAY NOT ACCOUNT FOR THE FACT THAT MY UNCLE SOL INDULGED IN THAT POSSIBLY MOST INEXCUSABLE OF ALL TO USE A HIGHFALOOTIN PHRASE LUXURIES THAT IS OR TO WIT FARMING AND BE IT NEEDLESSLY ADDED MY UNCLE SOL'S FARM FAILED BECAUSE THE CHICKENS ATE THE VEGETABLES SO MY UNCLE SOL HAD A CHICKEN FARM TILL THE SKUNKS ATE THE CHICKENS WHEN MY UNCLE SOL HAD A SKUNK FARM BUT THE SKUNKS CAUGHT COLD AND DIED AND SO MY UNCLE SOL IMITATED THE SKUNKS IN A SUBTLE MANNER OR BY DROWNING HIMSELF IN THE WATERTANK BUT SOMEBODY WHO'D GIVEN MY UNCLE SOL A VICTOR VICTROLA AND RECORDS WHILE HE LIVED PRESENTED TO HIM UPON THE AUSPICIOUS OCCASION OF HIS DECEASE A SCRUMPTIOUS NOT TO MENTION SPLENDIFEROUS FUNERAL WITH TALL BOYS IN BLACK GLOVES AND FLOWERS AND EVERYTHING AND I REMEMBER WE ALL CRIED LIKE THE MISSOURI WHEN MY UNCLE SOL'S COFFIN LURCHED BECAUSE SOMEBODY PRESSED A BUTTON (AND DOWN WENT MY UNCLE SOL AND STARTED A WORM FARM) E. E. CUMMINGS