WebMO Job Summary

392: C6H13FSi 1-ETHYL-1-FLUOROSILACYCLOPENTANE conformer B C1 30Si, 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 0.179972 Hartree
Conditions 298.150K, 1.00000 atm
Internal Energy -625.844924 Hartree
Enthalpy -625.843980 Hartree
Free Energy -625.890197 Hartree
Cv 36.811 cal/mol-K
Entropy 97.272 cal/mol-K
Dipole Moment 1.8859 Debye
Server batch (119428)
CPU time 627447.5 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 2.70534 0.09024042893
b 1.10930 0.03700226508
c 1.08092 0.03605561018

Partial Charges

Atom Symbol Charge
1 C -0.718038  
2 Si 1.662840  
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 0.121671  
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 54.3923 0.0638
2 A 74.9471 0.6943
3 A 115.4236 0.3993
4 A 168.7659 1.4883
5 A 205.0360 3.1895
6 A 254.3780 5.1354
7 A 257.0366 0.5362
8 A 276.5485 2.5601
9 A 315.4768 7.0366
10 A 440.5538 20.1453
11 A 494.8636 2.1922
12 A 591.0896 3.7169
13 A 652.3918 10.4289
14 A 698.2976 66.5622
15 A 711.8034 30.1488
16 A 718.5068 6.3427
17 A 782.1968 84.1370
18 A 842.6287 105.9671
19 A 850.4972 3.9742
20 A 863.3249 14.6899
21 A 930.9226 1.1574
22 A 953.9021 1.2008
23 A 973.2738 3.0927
24 A 980.5911 5.7104
25 A 1023.1064 4.7775
26 A 1026.3274 34.1490
27 A 1053.1387 10.7961
28 A 1104.5087 46.8690
29 A 1182.6224 3.5555
30 A 1225.4717 0.3759
31 A 1264.9854 1.4009
32 A 1276.0637 4.6313
33 A 1283.7116 7.5112
34 A 1287.5438 0.8553
35 A 1345.1161 1.5558
36 A 1350.9173 1.0738
37 A 1417.4171 1.1767
38 A 1449.7795 8.3102
39 A 1452.8450 3.5734
40 A 1455.2514 9.4743
41 A 1497.0291 5.2143
42 A 1504.3449 5.2870
43 A 1505.5280 1.8869
44 A 1509.1664 5.9198
45 A 3005.9901 6.2294
46 A 3006.7166 30.6474
47 A 3013.7670 22.4705
48 A 3018.3742 24.0852
49 A 3022.5315 40.0461
50 A 3028.0973 13.9882
51 A 3038.8742 7.4239
52 A 3053.2463 47.5647
53 A 3058.1345 48.4944
54 A 3075.7252 32.5334
55 A 3081.8230 18.4588
56 A 3084.9420 19.0816
57 A 3088.6948 28.3661
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 2965.870 34.52176444
2 2951.136 38.49467514
3 2958.100 37.31698834
4 2943.448 35.27393475
5 2912.974 43.41741287
6 2921.533 27.88724249
7 2894.171 5.28804460
8 2902.467 13.38102579
9 2868.584 32.34339974
10 2894.478 25.62956660
11 2827.616 32.18280726
12 2869.912 8.74840523
13 2863.964 7.27548255
14 1466.802 6.36571989
15 1476.442 2.32209185
16 1455.292 3.30637186
17 1459.298 2.83440742
18 1422.269 0.84221847
19 1419.600 3.63328371
20 1414.679 6.03822116
21 1386.224 0.93434771
22 1318.187 0.94460079
23 1314.955 1.39908612
24 1257.142 0.55785654
25 1252.868 3.76917990
26 1243.020 3.36715760
27 1233.761 1.31283471
28 1198.821 0.44167597
29 1154.007 2.85338929
30 1084.069 18.72992299
31 1035.994 9.43054280
32 1002.647 15.63663609
33 995.638 10.63878135
34 965.354 4.98651196
35 959.521 1.37503697
36 939.370 0.42681559
37 916.257 0.79649736
38 845.772 18.62343179
39 832.579 4.06352214
40 827.882 95.29642379
41 770.112 69.82807070
42 709.186 6.06569222
43 702.308 22.37743913
44 682.207 32.54226244
45 643.142 9.32540978
46 584.005 3.19387724
47 492.986 2.16965042
48 435.533 19.48007600
49 311.990 6.86152716
50 269.668 1.27988133
51 283.404 6.41766684
52 248.906 3.44361765
53 207.018 2.94554558
54 154.706 0.68680746
55 114.292 0.17510084
56 67.561 0.16961442
57 46.316 0.15696445
58 5853.479 0.26269194
59 5802.875 0.47542649
60 5807.321 0.43920196
61 5810.187 0.51086914
62 5843.657 0.01284555
63 5785.950 0.46955425
64 5668.519 0.31865826
65 5738.023 0.41720317
66 5729.313 0.00808023
67 5746.117 0.15565669
68 5700.648 0.50027094
69 5767.463 0.05278578
70 5758.747 0.07472481
71 2950.329 4.70384080
72 2940.220 2.26420572
73 2935.805 6.87592281
74 2923.415 41.29663112
75 2841.192 0.21013903
76 2826.891 1.41085411
77 2816.672 0.61439962
78 2743.881 2.04584036
79 2629.974 0.07991369
80 2616.774 0.27916212
81 2510.969 0.01094230
82 2501.315 0.03154945
83 2477.416 0.00230167
84 2461.225 0.03948789
85 2395.372 0.05578580
86 2303.948 0.00881314
87 2164.574 0.06443836
88 2071.475 0.03869460
89 1993.983 0.01000989
90 1986.890 0.00260531
91 1931.075 0.06586987
92 1912.868 0.06298436
93 1872.036 0.00005667
94 1832.701 0.00938565
95 1689.776 0.03826170
96 1662.891 0.00252897
97 1653.787 0.10611294
98 1537.928 0.20316203
99 1406.341 0.64972464
100 1401.627 0.33039016
101 1369.468 0.12827569
102 1285.360 0.32522792
103 1165.639 0.13316491
104 985.920 0.05884035
105 870.678 0.18865206
106 623.426 0.10678584
107 537.459 0.00603016
108 499.624 0.07463621
109 499.758 0.00234288
110 408.874 0.01139078
111 347.016 0.01175003
112 231.192 0.01032539
113 151.188 0.00201458
114 99.382 0.00156807
115 6173.637 0.00084955
116 6170.518 0.00198589
117 6166.765 0.02907702
118 6164.420 0.23925145
119 6160.667 0.00115346
120 6157.548 0.00355958
121 6146.829 0.00031868
122 6143.077 0.03213305
123 6139.957 0.06021702
124 6133.860 0.00040941
125 6141.941 0.00018522
126 6138.188 0.00478096
127 6135.069 0.00922637
128 6128.972 0.00009998
129 6111.381 0.29522316
130 6127.569 0.09086478
131 6123.816 0.00008232
132 6120.697 0.00033064
133 6114.599 0.05604366
134 6097.009 0.00172008
135 6092.121 0.00175876
136 6116.792 0.00000171
137 6113.039 0.00068901
138 6109.920 0.23072151
139 6103.823 0.00030377
140 6086.232 0.09003237
141 6081.344 0.08666754
142 6066.972 0.00036354
143 6111.226 0.03795306
144 6107.473 0.00170878
145 6104.354 0.00071843
146 6098.257 0.17767434
147 6080.666 0.00151554
148 6075.778 0.00071191
149 6061.406 0.03541990
150 6050.629 0.00111115
151 6107.069 0.00018642
152 6103.316 0.13880235
153 6100.197 0.00672953
154 6094.099 0.00115903
155 6076.509 0.15060272
156 6071.621 0.10213484
157 6057.248 0.01152833
158 6046.471 0.00352690
159 6040.906 0.00015066
160 6102.462 0.00010479
161 6098.709 0.04451858
162 6095.590 0.01342630
163 6089.492 0.00028107
164 6071.902 0.10408793
165 6067.013 0.27241628
166 6052.641 0.00045961
167 6041.864 0.02358465
168 6036.299 0.00025862
169 6032.141 0.17413252
170 6095.411 0.00568001
171 6091.659 0.00398574
172 6088.540 0.02851438
173 6082.442 0.02484823
174 6064.851 0.12222940
175 6059.963 0.03999827
176 6045.591 0.24232130
177 6034.814 0.00400108
178 6029.248 0.02458407
179 6025.091 0.00318175
180 6020.484 0.07321344
181 6094.685 0.00386200
182 6090.932 0.00877661
183 6087.813 0.01285609
184 6081.715 0.01418444
185 6064.125 0.14608862
186 6059.236 0.05622089
187 6044.864 0.21341991
188 6034.087 0.00120155
189 6028.522 0.01789318
190 6024.364 0.02584646
191 6019.757 0.08097013
192 6012.707 0.02651751
193 4597.861 0.18264051
194 4594.108 0.00108720
195 4590.989 0.00015297
196 4584.892 0.14898430
197 4567.301 0.00110388
198 4562.413 0.00126153
199 4548.041 0.03108431
200 4537.264 0.00028180
201 4531.698 0.17118736
202 4527.541 0.00160558
203 4522.933 0.00050971
204 4515.883 0.00309299
205 4515.157 0.00452368
206 4594.223 0.00774723
207 4590.470 0.01314252
208 4587.351 0.01245282
209 4581.253 0.01709481
210 4563.663 0.14068962
211 4558.774 0.18122941
212 4544.402 0.00294709
213 4533.625 0.01957625
214 4528.059 0.01205058
215 4523.902 0.05382274
216 4519.295 0.13231662
217 4512.245 0.00864009
218 4511.518 0.01719370
219 3014.694 10.31953138
220 4593.040 0.15112055
221 4589.287 0.00198597
222 4586.168 0.00156928
223 4580.070 0.26289606
224 4562.479 0.00829948
225 4557.591 0.00831422
226 4543.219 0.03133052
227 4532.442 0.00177040
228 4526.876 0.18121897
229 4522.719 0.00131883
230 4518.112 0.00539642
231 4511.062 0.00772310
232 4510.335 0.00173046
233 3013.511 4.83961043
234 3009.873 11.08445419
235 4585.724 0.00020730
236 4581.971 0.00392649
237 4578.852 0.00545716
238 4572.754 0.00035875
239 4555.164 0.12504668
240 4550.275 0.21012231
241 4535.903 0.00073319
242 4525.126 0.04342759
243 4519.561 0.00026691
244 4515.403 0.09770118
245 4510.796 0.23249664
246 4503.746 0.15483253
247 4503.019 0.20679028
248 3006.195 51.93054027
249 3002.557 9.54965835
250 3001.374 7.97349009
251 4543.946 0.00046800
252 4540.193 0.04610628
253 4537.074 0.09053880
254 4530.977 0.00249109
255 4513.386 0.00102866
256 4508.498 0.00668666
257 4494.126 0.16065019
258 4483.349 0.07548206
259 4477.783 0.00396596
260 4473.626 0.01363999
261 4469.018 0.00077602
262 4461.968 0.08203039
263 4461.242 0.01906634
264 2964.418 0.00812559
265 2960.779 0.31996887
266 2959.596 0.05167404
267 2952.281 0.01412086
268 4541.540 0.00018622
269 4537.787 0.04488165
270 4534.668 0.14832222
271 4528.570 0.00112362
272 4510.979 0.03486733
273 4506.091 0.01233028
274 4491.719 0.06052901
275 4480.942 0.17515968
276 4475.376 0.00131024
277 4471.219 0.02523858
278 4466.612 0.06620898
279 4459.562 0.00818345
280 4458.835 0.04443536
281 2962.011 0.00952847
282 2958.373 0.96462515
283 2957.190 0.06556596
284 2949.874 0.33777504
285 2908.096 0.87636653
286 4538.474 0.00018759
287 4534.721 0.17054771
288 4531.602 0.02036829
289 4525.505 0.00071184
290 4507.914 0.01071693
291 4503.026 0.00630678
292 4488.654 0.08091969
293 4477.877 0.00160719
294 4472.311 0.00491390
295 4468.154 0.11977866
296 4463.547 0.05945423
297 4456.496 0.01780476
298 4455.770 0.03600730
299 2958.946 0.01238334
300 2955.307 0.44194378
301 2954.124 0.11809556
302 2946.809 0.12050158
303 2905.031 1.26834419
304 2902.624 1.07684803
305 4506.112 0.28090104
306 4502.359 0.00105619
307 4499.240 0.00105099
308 4493.142 0.31080557
309 4475.552 0.00024770
310 4470.663 0.00037763
311 4456.291 0.14837222
312 4445.514 0.00098107
313 4439.949 0.37987288
314 4435.791 0.00327520
315 4431.184 0.00079652
316 4424.134 0.04728167
317 4423.407 0.03603475
318 2926.583 0.54438850
319 2922.945 0.02933828
320 2921.762 0.57431914
321 2914.446 0.00052767
322 2872.669 0.02817467
323 2870.262 0.00747532
324 2867.197 0.01455285
325 4439.612 0.00011865
326 4435.859 0.00560626
327 4432.740 0.00653574
328 4426.643 0.00017040
329 4409.052 0.02382624
330 4404.164 0.00184303
331 4389.792 0.00067357
332 4379.015 0.01042419
333 4373.449 0.00070175
334 4369.291 0.00227785
335 4364.684 0.08048350
336 4357.634 0.01565013
337 4356.907 0.01377735
338 2860.084 0.00111176
339 2856.445 0.12272602
340 2855.262 0.00501140
341 2847.946 0.15970457
342 2806.169 0.01831542
343 2803.762 0.00563408
344 2800.697 0.01760603
345 2768.334 0.00036174
346 4433.811 0.00021705
347 4430.058 0.01557022
348 4426.939 0.02429559
349 4420.841 0.00033889
350 4403.251 0.00623970
351 4398.362 0.00958843
352 4383.990 0.00517435
353 4373.213 0.03023309
354 4367.648 0.00127342
355 4363.490 0.04311353
356 4358.883 0.02397573
357 4351.833 0.03193801
358 4351.106 0.05224788
359 2854.282 0.00186306
360 2850.644 0.22083645
361 2849.461 0.00792781
362 2842.145 0.08621075
363 2800.368 0.00147933
364 2797.961 0.04515219
365 2794.896 0.01722371
366 2762.533 0.00048046
367 2696.033 0.38734811
368 4376.239 0.00327813
369 4372.486 0.00787754
370 4369.367 0.01504589
371 4363.269 0.00137978
372 4345.678 0.00186841
373 4340.790 0.01397788
374 4326.418 0.00071725
375 4315.641 0.01665904
376 4310.075 0.00272895
377 4305.918 0.01791285
378 4301.311 0.00964396
379 4294.260 0.03898741
380 4293.534 0.04842127
381 2796.710 0.00186063
382 2793.072 0.05383470
383 2791.889 0.00133827
384 2784.573 0.01953859
385 2742.795 0.00297475
386 2740.389 0.00868072
387 2737.323 0.03304307
388 2704.961 0.00164292
389 2638.461 0.06003112
390 2632.660 0.11817256
391 4372.406 0.00663208
392 4368.654 0.00976294
393 4365.535 0.00339158
394 4359.437 0.00060239
395 4341.846 0.00450485
396 4336.958 0.00306244
397 4322.586 0.00046249
398 4311.809 0.00463012
399 4306.243 0.00390120
400 4302.086 0.01781056
401 4297.479 0.00767132
402 4290.428 0.00624796
403 4289.702 0.00282942
404 2792.878 0.00128047
405 2789.240 0.17083915
406 2788.056 0.01295227
407 2780.741 0.02964002
408 2738.963 0.01556675
409 2736.557 0.05668981
410 2733.491 0.00735928
411 2701.129 0.00054208
412 2634.629 0.01723215
413 2628.828 0.12209353
414 2571.255 0.00535889
415 4364.758 0.06121184
416 4361.006 0.00128271
417 4357.887 0.00014718
418 4351.789 0.15100821
419 4334.198 0.00076226
420 4329.310 0.00099525
421 4314.938 0.01479037
422 4304.161 0.00066316
423 4298.595 0.18111154
424 4294.438 0.00111448
425 4289.831 0.00615913
426 4282.780 0.07917116
427 4282.054 0.05467310
428 2785.230 0.02775857
429 2781.592 0.00773841
430 2780.409 0.06842023
431 2773.093 0.00071548
432 2731.315 0.21341570
433 2728.909 0.06671410
434 2725.843 0.11115530
435 2693.481 0.05558379
436 2626.981 0.00128699
437 2621.180 0.00932823
438 2563.607 0.00010107
439 2559.775 0.00287479
440 4353.680 0.23751183
441 4349.927 0.00079111
442 4346.808 0.00073941
443 4340.711 0.09257334
444 4323.120 0.00062577
445 4318.232 0.00034371
446 4303.860 0.01698312
447 4293.083 0.00330926
448 4287.517 0.20087020
449 4283.360 0.00192685
450 4278.752 0.00017734
451 4271.702 0.00525378
452 4270.976 0.00510792
453 2774.152 0.31943846
454 2770.513 0.00207703
455 2769.330 0.04568492
456 2762.015 0.00084508
457 2720.237 0.02257993
458 2717.830 0.01184095
459 2714.765 0.01262225
460 2682.403 0.00234444
461 2615.903 0.00200808
462 2610.102 0.00243241
463 2552.529 0.00094306
464 2548.697 0.00241047
465 2541.049 0.01505016
466 4314.166 0.00009893
467 4310.414 0.02270102
468 4307.295 0.02730953
469 4301.197 0.00308303
470 4283.606 0.13347882
471 4278.718 0.08953968
472 4264.346 0.00142736
473 4253.569 0.01129928
474 4248.003 0.00077590
475 4243.846 0.07725433
476 4239.239 0.33737808
477 4232.188 0.03239279
478 4231.462 0.05033255
479 2734.638 0.00102683
480 2731.000 0.05885230
481 2729.817 0.00236807
482 2722.501 0.05387183
483 2680.723 0.00498045
484 2678.317 0.02838583
485 2675.251 0.01707470
486 2642.889 0.00028802
487 2576.389 0.00425744
488 2570.588 0.00942157
489 2513.016 0.00981785
490 2509.183 0.00592301
491 2501.535 0.00143954
492 2490.457 0.00092577
493 4271.317 0.00004518
494 4267.564 0.00899816
495 4264.445 0.02530989
496 4258.348 0.00003587
497 4240.757 0.07814437
498 4235.869 0.01383824
499 4221.497 0.00215555
500 4210.720 0.07399412
501 4205.154 0.00003533
502 4200.997 0.12911452
503 4196.389 0.04375185
504 4189.339 0.01205807
505 4188.613 0.01596917
506 2691.789 0.00053490
507 2688.150 0.02836412
508 2686.967 0.00191717
509 2679.651 0.00444034
510 2637.874 0.08721385
511 2635.467 0.02277456
512 2632.402 0.08533671
513 2600.039 0.00045126
514 2533.540 0.00095793
515 2527.738 0.00325604
516 2470.166 0.00467411
517 2466.334 0.03652859
518 2458.686 0.00429339
519 2447.608 0.00055142
520 2408.094 0.00723070
521 4193.203 0.00196601
522 4189.451 0.02921444
523 4186.332 0.05342276
524 4180.234 0.00137785
525 4162.643 0.02103576
526 4157.755 0.01706998
527 4143.383 0.00293334
528 4132.606 0.05365000
529 4127.040 0.00119619
530 4122.883 0.08245449
531 4118.276 0.02769070
532 4111.225 0.01142002
533 4110.499 0.00695406
534 2613.675 0.00023569
535 2610.037 0.00216604
536 2608.854 0.00026439
537 2601.538 0.05378697
538 2559.760 0.00196428
539 2557.354 0.12437282
540 2554.288 0.03794721
541 2521.926 0.00154202
542 2455.426 0.00061009
543 2449.625 0.00128413
544 2392.052 0.05170606
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1187 1358.189 0.05772603
1188 1345.361 0.03545060
1189 1337.492 0.03137799
1190 1277.060 1.81047254
1191 1213.370 0.04074665
1192 1206.667 0.00699637
1193 1193.161 0.06243506
1194 1147.255 0.01030780
1195 1085.953 0.15329590
1196 3529.249 0.01333079
1197 3525.496 0.04101670
1198 3522.377 0.03065280
1199 3516.279 0.06513644
1200 3498.688 0.02760962
1201 3493.800 0.01449936
1202 3479.428 0.02802626
1203 3468.651 0.01377610
1204 3463.085 0.00794655
1205 3458.928 0.01876881
1206 3454.321 0.00713839
1207 3447.270 0.00958011
1208 3446.544 0.01074701
1209 1949.720 0.00530525
1210 1946.082 0.00357245
1211 1944.899 0.00331285
1212 1937.583 0.00407690
1213 1895.805 0.01055546
1214 1893.399 0.00270890
1215 1890.333 0.01320350
1216 1857.971 0.00857150
1217 1791.471 0.00429886
1218 1785.670 0.00761692
1219 1728.098 0.01054106
1220 1724.265 0.02981916
1221 1716.617 0.04274015
1222 1705.539 0.00052866
1223 1666.026 0.00476987
1224 1623.176 0.02663856
1225 1545.062 0.04607447
1226 1493.693 1.83053025
1227 1466.881 0.13974303
1228 1463.660 0.03310669
1229 1421.145 0.07067871
1230 1413.828 0.01565655
1231 1394.456 0.00621442
1232 1371.476 0.00102672
1233 1303.879 0.00278451
1234 1291.051 0.00086191
1235 1283.183 0.12586230
1236 1222.751 0.02730454
1237 1159.061 0.10602865
1238 1152.357 0.04142161
1239 1138.851 0.00748544
1240 1092.946 0.11434912
1241 1031.643 11.81164834
1242 935.417 0.04498950
1243 3404.172 0.00688199
1244 3400.419 0.00887498
1245 3397.300 0.00810039
1246 3391.202 0.05395073
1247 3373.611 0.00361188
1248 3368.723 0.00392018
1249 3354.351 0.02858986
1250 3343.574 0.02007144
1251 3338.008 0.00454682
1252 3333.851 0.00757947
1253 3329.244 0.00025065
1254 3322.193 0.00964333
1255 3321.467 0.00612047
1256 1824.643 0.00116708
1257 1821.005 0.00156778
1258 1819.822 0.00410126
1259 1812.506 0.00067342
1260 1770.728 0.01260448
1261 1768.322 0.00150875
1262 1765.256 0.00078595
1263 1732.894 0.01562772
1264 1666.394 0.00106479
1265 1660.593 0.00993469
1266 1603.021 0.01641930
1267 1599.188 0.03475543
1268 1591.540 0.02839947
1269 1580.462 0.01108092
1270 1540.949 0.00514841
1271 1498.099 0.10989415
1272 1419.985 0.17254452
1273 1368.615 0.00678658
1274 1341.804 0.02725918
1275 1338.583 0.03731811
1276 1296.068 0.35462481
1277 1288.751 0.42895166
1278 1269.379 0.07019306
1279 1246.399 0.00179598
1280 1178.802 0.01778294
1281 1165.974 0.06958514
1282 1158.106 0.00622659
1283 1097.674 0.43292197
1284 1033.984 0.10191323
1285 1027.280 0.04687630
1286 1013.774 0.28387701
1287 967.869 0.01347428
1288 906.566 0.16619912
1289 810.340 0.23735014
1290 756.031 0.03366700
1291 3365.243 0.00296280
1292 3361.490 0.11339779
1293 3358.371 0.00917708
1294 3352.274 0.00400580
1295 3334.683 0.09627284
1296 3329.795 0.04783561
1297 3315.423 0.00470183
1298 3304.646 0.01208310
1299 3299.080 0.00069831
1300 3294.923 0.05294475
1301 3290.316 0.06734598
1302 3283.265 0.02604514
1303 3282.539 0.02527522
1304 1785.715 0.00176552
1305 1782.076 0.00263661
1306 1780.893 0.00093323
1307 1773.578 0.01718698
1308 1731.800 0.02711241
1309 1729.393 0.00090124
1310 1726.328 0.06420538
1311 1693.966 0.00050998
1312 1627.466 0.01048877
1313 1621.665 0.01952295
1314 1564.092 0.00491961
1315 1560.260 0.00509657
1316 1552.612 0.00079936
1317 1541.534 0.00297260
1318 1502.020 0.30473614
1319 1459.171 1.34741815
1320 1381.057 0.00304402
1321 1329.687 0.09648344
1322 1302.876 0.00801368
1323 1299.655 0.00474692
1324 1257.140 0.01338979
1325 1249.822 0.01580933
1326 1230.451 0.03672862
1327 1207.471 0.00413272
1328 1139.873 0.02804819
1329 1127.046 0.00498331
1330 1119.177 0.03079330
1331 1058.745 0.22668310
1332 995.055 0.01796706
1333 988.352 0.10531804
1334 974.846 0.17415949
1335 928.940 0.17304461
1336 867.638 0.18429483
1337 771.412 0.08116576
1338 717.102 11.22766649
1339 592.025 0.55426290
1340 3345.731 0.08706331
1341 3341.979 0.00817032
1342 3338.860 0.00893868
1343 3332.762 0.16063352
1344 3315.171 0.00642772
1345 3310.283 0.00932953
1346 3295.911 0.14517308
1347 3285.134 0.00078230
1348 3279.568 0.01570236
1349 3275.411 0.01083633
1350 3270.804 0.00534213
1351 3263.753 0.00764939
1352 3263.027 0.02192885
1353 1766.203 0.06227166
1354 1762.565 0.00717608
1355 1761.382 0.04595575
1356 1754.066 0.00210827
1357 1712.288 0.01357401
1358 1709.882 0.01543232
1359 1706.816 0.00576204
1360 1674.454 0.00067665
1361 1607.954 0.00284901
1362 1602.153 0.00101536
1363 1544.580 0.00681507
1364 1540.748 0.00408873
1365 1533.100 0.11096295
1366 1522.022 0.03826854
1367 1482.508 0.00092305
1368 1439.659 0.01479280
1369 1361.545 0.01094492
1370 1310.175 0.00239357
1371 1283.364 0.53699995
1372 1280.143 0.17571836
1373 1237.628 0.05010793
1374 1230.310 0.07632185
1375 1210.939 0.02148329
1376 1187.959 0.07540460
1377 1120.361 0.01633318
1378 1107.534 1.34860190
1379 1099.665 0.01816741
1380 1039.233 0.07019667
1381 975.543 1.72536321
1382 968.840 0.61599287
1383 955.334 0.15297363
1384 909.428 0.06205098
1385 848.126 1.23973844
1386 751.900 0.10912069
1387 697.590 1.79403005
1388 572.513 0.06681214
1389 533.585 0.00640596
1390 3343.073 0.00028674
1391 3339.320 0.02972886
1392 3336.201 0.17146761
1393 3330.103 0.00308902
1394 3312.513 0.04552259
1395 3307.624 0.03178449
1396 3293.252 0.00242052
1397 3282.475 0.03615381
1398 3276.910 0.00057111
1399 3272.752 0.02980919
1400 3268.145 0.00676298
1401 3261.095 0.04406575
1402 3260.368 0.00510560
1403 1763.544 0.00057145
1404 1759.906 0.00559814
1405 1758.723 0.00008238
1406 1751.407 0.00487112
1407 1709.629 0.01897678
1408 1707.223 0.08630230
1409 1704.158 0.00372441
1410 1671.795 0.00231018
1411 1605.295 0.00666149
1412 1599.494 0.00271768
1413 1541.922 0.01288138
1414 1538.090 0.01213602
1415 1530.442 0.00840785
1416 1519.363 0.00617761
1417 1479.850 0.00093272
1418 1437.000 0.09642438
1419 1358.887 0.02410523
1420 1307.517 0.05075828
1421 1280.705 0.48422703
1422 1277.484 0.09162966
1423 1234.969 0.00382983
1424 1227.652 0.00331508
1425 1208.280 0.06644768
1426 1185.301 0.18554104
1427 1117.703 0.06065859
1428 1104.875 17.59266034
1429 1097.007 0.03190838
1430 1036.575 0.77212457
1431 972.885 0.11138977
1432 966.181 0.00283027
1433 952.676 0.50644671
1434 906.770 0.01172667
1435 845.468 0.13904575
1436 749.242 0.13447984
1437 694.932 10.63003644
1438 569.855 0.01824341
1439 530.927 0.01719558
1440 511.415 0.00045265
1441 3293.731 0.04112542
1442 3289.978 0.01749995
1443 3286.859 0.02405326
1444 3280.761 0.10843612
1445 3263.170 0.07016088
1446 3258.282 0.02740580
1447 3243.910 0.00334838
1448 3233.133 0.00754395
1449 3227.567 0.00940132
1450 3223.410 0.01976865
1451 3218.803 0.01545300
1452 3211.753 0.01618387
1453 3211.026 0.01462236
1454 1714.202 0.01529429
1455 1710.564 0.00191084
1456 1709.381 0.01533434
1457 1702.065 0.00826736
1458 1660.287 0.00336185
1459 1657.881 0.00160301
1460 1654.815 0.00219604
1461 1622.453 0.00923310
1462 1555.953 0.00186375
1463 1550.152 0.00014379
1464 1492.580 0.22312591
1465 1488.748 0.04076053
1466 1481.100 0.09985709
1467 1470.021 0.02929267
1468 1430.508 0.02403013
1469 1387.658 0.01399838
1470 1309.545 0.00592418
1471 1258.175 0.00775823
1472 1231.363 0.00409674
1473 1228.142 0.02994417
1474 1185.627 0.03279788
1475 1178.310 0.00369583
1476 1158.938 0.01927289
1477 1135.959 0.01367323
1478 1068.361 0.04802515
1479 1055.533 0.01472089
1480 1047.665 0.09183699
1481 987.233 0.04199576
1482 923.543 0.03682359
1483 916.839 0.09326751
1484 903.334 0.15268188
1485 857.428 0.36149815
1486 796.126 0.25153740
1487 699.900 0.12014635
1488 645.590 0.03766588
1489 520.513 0.01064715
1490 481.584 0.03401917
1491 462.073 0.01253590
1492 459.414 0.06680387
1493 3257.461 0.37382905
1494 3253.708 0.01539138
1495 3250.589 0.00654672
1496 3244.491 0.45465912
1497 3226.900 0.00804664
1498 3222.012 0.00343102
1499 3207.640 0.09813947
1500 3196.863 0.00294873
1501 3191.297 0.00325756
1502 3187.140 0.01057980
1503 3182.533 0.00541181
1504 3175.483 0.02175516
1505 3174.756 0.01899138
1506 1677.932 0.15851153
1507 1674.294 0.00307909
1508 1673.111 0.11323722
1509 1665.795 0.00076013
1510 1624.017 0.00702023
1511 1621.611 0.01721226
1512 1618.545 0.00462518
1513 1586.183 0.00271091
1514 1519.683 0.00057431
1515 1513.882 0.00381359
1516 1456.310 0.67723193
1517 1452.477 0.05543740
1518 1444.830 0.24175977
1519 1433.751 0.18121374
1520 1394.238 0.00445167
1521 1351.388 0.00302334
1522 1273.275 0.10118960
1523 1221.905 0.00742059
1524 1195.093 0.00387836
1525 1191.872 0.00729139
1526 1149.357 0.01672109
1527 1142.040 0.06863713
1528 1122.668 0.32022312
1529 1099.688 0.20023990
1530 1032.091 0.06698598
1531 1019.263 0.23798120
1532 1011.395 0.02958280
1533 950.963 0.14771235
1534 887.273 0.09810734
1535 880.569 0.54349970
1536 867.063 1.12816671
1537 821.158 0.31865080
1538 759.855 0.72330142
1539 663.630 0.01935638
1540 609.320 0.03626082
1541 484.243 0.00260070
1542 445.314 0.00295841
1543 425.802 0.11204192
1544 423.144 0.00506596
1545 373.802 0.00035346
1546 3204.118 0.02772903
1547 3200.366 0.00535145
1548 3197.247 0.04651140
1549 3191.149 0.08743421
1550 3173.558 0.04810503
1551 3168.670 0.00698273
1552 3154.298 0.06034602
1553 3143.521 0.00218729
1554 3137.955 0.03776497
1555 3133.798 0.03204786
1556 3129.191 0.01137486
1557 3122.140 0.04423186
1558 3121.414 0.04795804
1559 1624.590 0.00494380
1560 1620.952 0.00051328
1561 1619.769 0.01497197
1562 1612.453 0.00358895
1563 1570.675 0.01615417
1564 1568.269 0.00488155
1565 1565.203 0.00344841
1566 1532.841 0.05986653
1567 1466.341 0.00547470
1568 1460.540 0.00296417
1569 1402.967 0.01186921
1570 1399.135 0.00975007
1571 1391.487 0.02280574
1572 1380.409 0.00644081
1573 1340.895 0.00246613
1574 1298.046 0.00797439
1575 1219.932 0.01127838
1576 1168.562 0.00820054
1577 1141.751 0.00616425
1578 1138.530 0.00154829
1579 1096.015 0.05661211
1580 1088.697 0.07248716
1581 1069.326 0.06427235
1582 1046.346 0.00448280
1583 978.748 0.00650941
1584 965.921 0.03643856
1585 958.052 0.00411758
1586 897.620 0.02205637
1587 833.930 1.79798837
1588 827.227 0.08183006
1589 813.721 0.10669202
1590 767.815 0.46543036
1591 706.513 11.88137665
1592 610.287 0.01478825
1593 555.977 0.03012216
1594 430.900 0.00884988
1595 391.972 0.01504818
1596 372.460 0.00009097
1597 369.802 0.00554972
1598 320.460 0.00032852
1599 284.189 0.00586906
1600 3163.642 0.12763732
1601 3159.889 0.03565398
1602 3156.770 0.04154998
1603 3150.672 0.18034234
1604 3133.082 0.01742565
1605 3128.193 0.09259487
1606 3113.821 0.07125136
1607 3103.044 0.00612142
1608 3097.479 0.37246307
1609 3093.321 0.03470210
1610 3088.714 0.10711236
1611 3081.664 22.57930820
1612 3080.937 1.12407407
1613 1584.113 0.06772321
1614 1580.475 0.00217784
1615 1579.292 0.03730481
1616 1571.976 0.00269360
1617 1530.198 0.01706341
1618 1527.792 0.01773164
1619 1524.727 0.00739795
1620 1492.364 0.18902951
1621 1425.864 0.00243012
1622 1420.063 0.00119272
1623 1362.491 0.00058108
1624 1358.659 0.00122228
1625 1351.011 0.00403523
1626 1339.932 0.00444467
1627 1300.419 0.02931010
1628 1257.569 0.02883986
1629 1179.456 0.54280173
1630 1128.086 0.04262367
1631 1101.274 1.71720014
1632 1098.053 0.00380881
1633 1055.538 0.10612483
1634 1048.221 0.01377233
1635 1028.849 0.05673258
1636 1005.870 0.01044396
1637 938.272 0.17536277
1638 925.444 0.00339211
1639 917.576 0.01135392
1640 857.144 0.69904087
1641 793.454 4.37259315
1642 786.750 0.36887544
1643 773.245 6.90867502
1644 727.339 0.02844037
1645 666.037 0.07032864
1646 569.811 0.02667564
1647 515.501 0.03600940
1648 390.424 0.00831009
1649 351.496 0.07272655
1650 331.984 0.01226039
1651 329.325 0.06255087
1652 279.983 0.00101853
1653 243.713 0.00332396
1654 190.371 0.00395354
1655 3143.087 0.08801223
1656 3139.334 0.03759428
1657 3136.215 0.03674322
1658 3130.118 0.02500987
1659 3112.527 0.06027860
1660 3107.639 0.14386301
1661 3093.267 0.12346391
1662 3082.490 5.68675580
1663 3076.924 0.01122936
1664 3072.766 0.12332736
1665 3068.159 0.02528822
1666 3061.109 0.77443936
1667 3060.382 0.47116981
1668 1563.559 0.02183967
1669 1559.920 0.00200812
1670 1558.737 0.00795794
1671 1551.421 0.00311552
1672 1509.644 0.00080532
1673 1507.237 0.00483308
1674 1504.172 0.05234376
1675 1471.809 0.04669707
1676 1405.310 0.00236787
1677 1399.508 0.00388988
1678 1341.936 0.00224182
1679 1338.104 0.00980592
1680 1330.456 0.00849050
1681 1319.378 0.00842754
1682 1279.864 0.01079656
1683 1237.015 0.01384740
1684 1158.901 0.03665175
1685 1107.531 0.02398028
1686 1080.720 0.00638532
1687 1077.499 0.01618256
1688 1034.983 0.01773651
1689 1027.666 6.49247182
1690 1008.294 0.01534058
1691 985.315 0.01532751
1692 917.717 0.01294729
1693 904.889 0.00651705
1694 897.021 0.01703822
1695 836.589 1.43562949
1696 772.899 2.14305058
1697 766.196 0.03495157
1698 752.690 0.37537261
1699 706.784 6.11937563
1700 645.482 0.66767821
1701 549.256 0.00312379
1702 494.946 0.20506112
1703 369.869 0.02387511
1704 330.941 0.16717776
1705 311.429 0.00131308
1706 308.770 0.04535287
1707 259.428 0.00114157
1708 223.158 0.00254603
1709 169.816 0.00130638
1710 129.339 0.00080369
IR Spectrum
Raman Spectrum
Peak Width (cm-1)

Quote

BLACK HOLES SUCK.