WebMO Job Summary

624959: C4H6O2N2 5-methyl-hydantoin B3LYP/6-311+G(2d,p), Ultra_Anharm - Gaussian

Calculated Quantities

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Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) DIIS OPT=(maxstep=10,maxcycles=50,VeryTight) Geom=Connectivity int=ultrafine FREQ=(anharmonic,vibrot,readanharm)
Stoichiometry C4H6N2O2
Symmetry C1
Basis 6-311+G(2d,p)
RB3LYP Energy -416.170139726 Hartree
ZPE 0.108061 Hartree
Conditions 298.150K, 1.00000 atm
Internal Energy -416.054811 Hartree
Enthalpy -416.053866 Hartree
Free Energy -416.093934 Hartree
Cv 26.849 cal/mol-K
Entropy 84.328 cal/mol-K
Dipole Moment 2.8279 Debye
Server default (3975790)
CPU time 231954.9 sec

Geometry Sequence Energies

Step Energy  
0 -416.169972152  
1 -416.170211350  
2 -416.170213738  
3 -416.170221279  
4 -416.170224088  
5 -416.170225736  
6 -416.170226504  
7 -416.170227165  
8 -416.170227387  
9 -416.170227558  
10 -416.170227697  
11 -416.170227730  
12 -416.170227732  
13 -416.170227732  
14 -416.170227732  
15 -416.170227732  
16 -416.170227732  
Animation speed  
Loop  

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 3.60461 0.12023684732
b 1.87243 0.06245754188
c 1.30215 0.04343504866

Vibrational Modes

Mode Symmetry Frequency (cm-1) IR (Raman) Intensity Actions
1 A 93.9126 4.1162
2 A 134.6935 0.8127
3 A 221.2208 0.2004
4 A 243.1597 5.3435
5 A 365.3808 61.8787
6 A 382.0774 16.5491
7 A 443.6165 21.5961
8 A 552.7938 93.0815
9 A 575.3783 63.9145
10 A 629.1281 13.7640
11 A 665.1185 12.9126
12 A 732.6426 5.9622
13 A 763.2262 13.5410
14 A 808.6386 9.8762
15 A 948.7913 11.4261
16 A 989.0503 26.0830
17 A 1048.7593 26.0472
18 A 1115.4927 13.8647
19 A 1126.7630 8.3047
20 A 1191.2915 62.9501
21 A 1292.0116 82.6730
22 A 1342.7521 50.6779
23 A 1354.8664 54.8443
24 A 1390.4176 93.8082
25 A 1412.2304 47.5795
26 A 1422.8396 20.6905
27 A 1494.2629 8.1522
28 A 1497.0863 1.5139
29 A 1800.4950 1012.7539
30 A 1837.8202 196.7593
31 A 3010.7378 14.9727
32 A 3038.9279 15.1897
33 A 3105.3688 15.6397
34 A 3118.7415 9.3369
35 A 3635.7811 84.1221
36 A 3648.0227 50.2468
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum  
Peak Width (cm-1)

Anharmonic Vibrational Modes

Mode Frequency (cm-1) IR Intensity
1 3505.876 50.10714634
2 3469.939 55.19491631
3 2991.057 16.98172631
4 2974.145 10.53157993
5 2862.772 7.79613568
6 2886.109 17.53402841
7 1804.404 156.11140749
8 1765.462 615.76653573
9 1458.994 0.88404931
10 1462.354 0.45373277
11 1393.674 21.81456800
12 1378.992 46.67614263
13 1363.669 47.69507274
14 1331.140 19.67526389
15 1299.295 9.72173837
16 1257.392 43.22083639
17 1156.154 46.80187439
18 1104.030 2.10487992
19 1081.672 15.68690761
20 1029.028 19.22102591
21 965.468 22.81958967
22 929.304 11.55568712
23 797.969 6.35491763
24 759.307 9.18384868
25 723.111 9.59226043
26 654.452 8.22759222
27 619.347 11.75366232
28 619.583 9.81480294
29 490.364 114.24223400
30 477.559 9.49213469
31 383.154 13.86881909
32 184.981 30.77847903
33 261.003 5.06242773
34 210.556 2.83491655
35 122.845 0.18413786
36 27.816 6.95212015
37 6869.083 2.65328894
38 6801.504 2.72694128
39 5911.836 0.20880512
40 5862.205 0.43190030
41 5796.006 0.01354828
42 5645.746 0.92928679
43 3600.437 0.85738260
44 3519.813 0.46882032
45 2937.927 12.68325845
46 2926.134 0.07429763
47 2774.481 0.24010376
48 2753.492 0.15014892
49 2719.105 0.16097063
50 2640.554 0.54659489
51 2610.874 1.18950000
52 2519.500 0.02374305
53 2309.456 0.45428726
54 2201.645 0.13750227
55 2157.071 0.01354095
56 2055.716 0.07602803
57 1928.867 5.59009671
58 1857.738 0.74564278
59 1594.091 1.77871009
60 1514.278 2.25715647
61 1444.738 0.78032080
62 1310.104 0.07116331
63 1237.765 0.17607133
64 1129.255 2.89262508
65 1089.669 7.80892569
66 846.467 0.46629195
67 765.858 0.00950768
68 379.953 6.54716563
69 480.334 0.14094940
70 463.341 1.03298604
71 244.373 0.34279877
72 18.394 0.19496738
73 7283.804 0.01363573
74 6766.764 0.00026290
75 6754.523 0.00005004
76 6753.391 0.00024983
77 6741.150 0.00021184
78 6224.110 0.20044754
79 6686.951 0.00071989
80 6674.709 0.00054381
81 6157.669 0.05055773
82 6144.297 0.11189242
83 6658.761 0.01785780
84 6646.519 0.00183281
85 6129.479 0.02240117
86 6116.107 0.02272388
87 6049.666 0.04898365
88 5485.843 0.39775093
89 5473.601 0.72060553
90 4956.562 0.03891151
91 4943.189 0.00858935
92 4876.748 0.02052057
93 4848.558 0.11793763
94 5448.518 0.15878295
95 5436.276 0.16493504
96 4919.237 0.00712580
97 4905.864 0.00036095
98 4839.423 0.00641656
99 4811.233 0.04361052
100 3638.315 21.63651857
101 5145.109 0.00649759
102 5132.867 0.00140937
103 4615.828 0.13452599
104 4602.455 0.22066359
105 4536.014 0.08825949
106 4507.824 0.02312713
107 3334.907 0.03448689
108 3297.581 0.00022333
109 5142.286 0.02378517
110 5130.044 0.00040937
111 4613.004 0.17945052
112 4599.632 0.15967236
113 4533.191 0.12156926
114 4505.001 0.02562905
115 3332.083 0.02219700
116 3294.758 0.00650171
117 2991.349 0.36783474
118 5070.862 0.53593904
119 5058.621 0.00762985
120 4541.581 0.19324885
121 4528.208 0.02736135
122 4461.768 0.06536426
123 4433.577 0.02031903
124 3260.660 1.19664770
125 3223.335 0.40337514
126 2919.926 0.05533258
127 2917.103 0.12727715
128 5060.253 0.07977253
129 5048.012 0.01129178
130 4530.972 0.14355862
131 4517.599 0.21526410
132 4451.158 0.12940184
133 4422.968 0.06342972
134 3250.051 0.38814546
135 3212.725 0.23777544
136 2909.317 0.32630296
137 2906.493 0.20090319
138 2835.070 0.14641560
139 5038.440 0.16271522
140 5026.199 0.03615744
141 4509.159 0.07980724
142 4495.786 0.04092416
143 4429.345 0.05382264
144 4401.155 0.03251580
145 3228.238 0.09529999
146 3190.913 0.31922502
147 2887.504 0.01158602
148 2884.680 0.09679342
149 2813.257 0.47429012
150 2802.648 0.09833615
151 5002.889 0.02748439
152 4990.648 0.69924738
153 4473.608 0.03884608
154 4460.235 0.05646997
155 4393.794 0.04019161
156 4365.604 0.05684311
157 3192.687 0.97775028
158 3155.361 0.61981854
159 2851.953 0.01757454
160 2849.129 0.00944751
161 2777.706 0.07359241
162 2767.097 0.30105098
163 2745.284 0.99825973
164 4990.775 0.05390617
165 4978.533 0.41986053
166 4461.494 0.08200499
167 4448.121 0.10815159
168 4381.680 0.07981388
169 4353.490 0.11428968
170 3180.572 0.59605363
171 3143.247 0.06258419
172 2839.838 0.00847367
173 2837.015 0.02649294
174 2765.592 0.18364338
175 2754.982 0.35205512
176 2733.170 0.27351366
177 2697.618 0.12768742
178 4940.034 0.21190140
179 4927.793 0.21249294
180 4410.753 0.01223728
181 4397.380 0.06292828
182 4330.939 0.07170003
183 4302.749 0.10482121
184 3129.832 0.09725523
185 3092.507 0.08890051
186 2789.098 0.05995194
187 2786.274 0.03313490
188 2714.851 0.40951206
189 2704.242 0.05198427
190 2682.429 0.54736778
191 2646.878 0.76997131
192 2634.764 0.01883912
193 4839.314 0.07706727
194 4827.073 0.03846815
195 4310.033 0.03044263
196 4296.660 0.00583357
197 4230.219 0.01076631
198 4202.029 0.06024913
199 3029.112 0.26683215
200 2991.787 0.41470586
201 2688.378 0.00710882
202 2685.554 0.02243214
203 2614.131 0.35454519
204 2603.522 0.79517181
205 2581.709 1.65347938
206 2546.158 0.24173387
207 2534.044 0.39191738
208 2483.303 0.51184108
209 4774.786 0.13535583
210 4762.544 0.00519328
211 4245.504 0.03021193
212 4232.132 0.08102448
213 4165.691 0.11083418
214 4137.501 0.08740895
215 2964.583 0.07726343
216 2927.258 0.00714171
217 2623.849 0.05958933
218 2621.026 0.02811082
219 2549.603 0.42670758
220 2538.993 0.02950317
221 2517.181 0.05431089
222 2481.629 0.18111805
223 2469.515 0.04171689
224 2418.775 0.02491893
225 2318.054 0.09155141
226 4763.515 0.00474123
227 4751.274 0.00839725
228 4234.234 0.11737538
229 4220.862 0.07287781
230 4154.421 0.16117235
231 4126.231 0.17724327
232 2953.313 0.06133803
233 2915.988 0.05327196
234 2612.579 0.01146788
235 2609.756 0.08352054
236 2538.332 0.08712853
237 2527.723 0.17585928
238 2505.910 0.17401527
239 2470.359 0.03994714
240 2458.245 0.01768325
241 2407.504 0.13204827
242 2306.784 0.03459259
243 2242.256 0.00719312
244 4696.782 0.09993438
245 4684.540 0.01776624
246 4167.501 0.01207164
247 4154.128 0.04011304
248 4087.687 0.08623264
249 4059.497 0.08002146
250 2886.580 0.13631114
251 2849.254 0.26151643
252 2545.846 0.01675143
253 2543.022 0.03989582
254 2471.599 0.17169378
255 2460.990 0.27684217
256 2439.177 0.26113740
257 2403.626 0.15586796
258 2391.511 0.19669891
259 2340.771 0.21166954
260 2240.051 0.07479035
261 2175.522 0.10096772
262 2164.252 0.00426897
263 4637.073 0.06878309
264 4624.831 0.15867051
265 4107.792 0.01109477
266 4094.419 0.00290488
267 4027.978 0.01132288
268 3999.788 0.03523322
269 2826.871 0.22588250
270 2789.545 0.23877733
271 2486.137 0.00221401
272 2483.313 0.01362829
273 2411.890 0.28585145
274 2401.281 0.12560312
275 2379.468 0.22954631
276 2343.917 0.34447832
277 2331.802 0.67608035
278 2281.062 0.41749600
279 2180.342 0.35674671
280 2115.813 0.09175229
281 2104.543 0.04651817
282 2037.810 0.16435573
283 4596.814 0.15373413
284 4584.572 0.06430342
285 4067.533 0.02021360
286 4054.160 0.00346981
287 3987.719 0.04894130
288 3959.529 0.08485409
289 2786.612 0.01854440
290 2749.286 0.02355925
291 2445.878 0.03676105
292 2443.054 0.01147661
293 2371.631 0.12151320
294 2361.022 0.05966155
295 2339.209 0.93827784
296 2303.658 0.10469244
297 2291.543 0.19663042
298 2240.803 0.06690584
299 2140.083 0.17473261
300 2075.554 0.40184852
301 2064.284 0.02850838
302 1997.551 0.21744591
303 1937.842 3.37161429
304 4456.661 0.01647899
305 4444.420 0.03734516
306 3927.380 0.00630281
307 3914.007 0.02188626
308 3847.567 0.02878345
309 3819.376 0.02262089
310 2646.459 0.06145508
311 2609.134 0.24399170
312 2305.725 0.02663102
313 2302.902 0.04923006
314 2231.478 0.12429281
315 2220.869 0.13550395
316 2199.056 0.07037547
317 2163.505 0.15600170
318 2151.391 0.15534895
319 2100.650 0.09679708
320 1999.930 0.07323905
321 1935.402 0.15414307
322 1924.131 0.05612187
323 1857.398 4.23870272
324 1797.689 43.10718917
325 1757.430 4.16997778
326 4411.249 0.02705970
327 4399.007 0.01273142
328 3881.968 0.00054400
329 3868.595 0.00030370
330 3802.154 0.00040133
331 3773.964 0.04917122
332 2601.046 0.06255483
333 2563.721 0.01115548
334 2260.313 0.00025434
335 2257.489 0.00132586
336 2186.066 0.04783399
337 2175.457 0.02796988
338 2153.644 0.00136006
339 2118.093 0.02588630
340 2105.978 0.00625852
341 2055.238 0.03153417
342 1954.518 0.08727982
343 1889.989 0.02842573
344 1878.719 0.16737704
345 1811.986 0.65104017
346 1752.277 0.09484314
347 1712.018 0.00838914
348 1571.865 0.03054048
349 4380.665 0.08381143
350 4368.424 0.05727180
351 3851.384 0.00634441
352 3838.011 0.01762846
353 3771.570 0.00074354
354 3743.380 0.05447754
355 2570.463 0.13011420
356 2533.138 0.04991320
357 2229.729 0.00571041
358 2226.905 0.01053521
359 2155.482 0.10139186
360 2144.873 0.07022570
361 2123.060 0.39909023
362 2087.509 0.29395325
363 2075.395 0.53041419
364 2024.654 0.29465844
365 1923.934 1.42551944
366 1859.406 1.61601904
367 1848.135 0.39024098
368 1781.402 0.72476286
369 1721.693 1.15171357
370 1681.434 0.18970992
371 1541.281 0.32923501
372 1495.869 3.42404340
373 4313.141 0.17638884
374 4300.900 0.02244900
375 3783.860 0.01379560
376 3770.487 0.01011748
377 3704.046 0.00961740
378 3675.856 0.04192794
379 2502.939 0.48781033
380 2465.614 0.58258862
381 2162.205 0.00368827
382 2159.381 0.00635966
383 2087.958 0.18971183
384 2077.349 0.16221082
385 2055.536 0.34934930
386 2019.985 0.15371014
387 2007.871 0.47027768
388 1957.130 0.16683553
389 1856.410 13.71285824
390 1791.881 8.68598351
391 1780.611 2.86455572
392 1713.878 0.22308817
393 1654.169 0.79196858
394 1613.910 0.15510287
395 1473.757 1.40421705
396 1428.345 0.13241043
397 1397.761 6.60749957
398 4277.151 0.03090425
399 4264.909 0.38494978
400 3747.870 0.01140293
401 3734.497 0.00216665
402 3668.056 0.00188866
403 3639.866 0.03526876
404 2466.948 0.06325504
405 2429.623 1.20888631
406 2126.214 0.03276174
407 2123.391 0.00705618
408 2051.968 0.46810239
409 2041.358 0.67294329
410 2019.546 1.57494400
411 1983.994 0.08810218
412 1971.880 0.20468386
413 1921.140 0.31219079
414 1820.420 93.46154169
415 1755.891 0.06089779
416 1744.621 2.17147589
417 1677.887 1.41072637
418 1618.178 0.93595564
419 1577.919 0.49143422
420 1437.767 0.53273798
421 1392.354 5.90245274
422 1361.771 6.68198184
423 1294.247 9.14324359
424 4223.401 0.02800718
425 4211.159 0.39625261
426 3694.120 0.00279735
427 3680.747 0.01090740
428 3614.306 0.00401343
429 3586.116 0.01705882
430 2413.199 0.02551082
431 2375.873 0.03616610
432 2072.465 0.00191911
433 2069.641 0.01152157
434 1998.218 0.10760399
435 1987.609 0.17621792
436 1965.796 1.18476375
437 1930.245 0.32786982
438 1918.130 0.85985734
439 1867.390 0.22307919
440 1766.670 1.72304429
441 1702.141 0.01849764
442 1690.871 0.10442970
443 1624.138 0.05437101
444 1564.429 0.04479446
445 1524.170 0.09912282
446 1384.017 1.42904478
447 1338.605 21.77254689
448 1308.021 2.91054079
449 1240.497 3.29018899
450 1204.506 0.32536245
451 4200.816 0.03143832
452 4188.575 0.66539873
453 3671.535 0.00608032
454 3658.163 0.00255774
455 3591.722 0.00268583
456 3563.532 0.01345250
457 2390.614 0.00622020
458 2353.289 0.03674476
459 2049.880 0.00109293
460 2047.057 0.00555348
461 1975.633 0.13696713
462 1965.024 0.08446690
463 1943.211 1.06725462
464 1907.660 0.38589723
465 1895.546 0.57387334
466 1844.805 11.16683321
467 1744.085 0.60180934
468 1679.557 0.04152857
469 1668.287 0.04963293
470 1601.553 0.15620718
471 1541.844 0.04395895
472 1501.585 0.22325145
473 1361.432 3.92241877
474 1316.020 2.64071309
475 1285.436 13.73972368
476 1217.912 3.05460194
477 1181.922 0.09829932
478 1128.172 10.53384038
479 4091.639 0.25024971
480 4079.398 0.00199443
481 3562.358 0.04781735
482 3548.985 0.02339091
483 3482.544 0.00041003
484 3454.354 0.00373339
485 2281.437 0.13708467
486 2244.112 0.09402933
487 1940.703 0.00282380
488 1937.879 0.00503472
489 1866.456 2.19533557
490 1855.847 3.81706653
491 1834.034 29.78986883
492 1798.483 6.59157994
493 1786.369 0.09976896
494 1735.628 0.10738159
495 1634.908 0.39415376
496 1570.380 0.03358441
497 1559.109 0.07634760
498 1492.376 0.42342996
499 1432.667 3.75036883
500 1392.408 3.16423970
501 1252.255 0.78054951
502 1206.843 8.59886473
503 1176.259 0.26548625
504 1108.735 0.12019899
505 1072.745 0.08017280
506 1018.995 0.38512207
507 996.410 3.78647696
508 4030.100 0.00480644
509 4017.859 0.00477000
510 3500.819 0.02970096
511 3487.446 0.00166941
512 3421.005 0.00154420
513 3392.815 0.00275472
514 2219.898 0.09369655
515 2182.572 0.02462612
516 1879.164 0.00223009
517 1876.340 0.02512884
518 1804.917 92.53640124
519 1794.308 3.02635425
520 1772.495 0.03185735
521 1736.944 1.32113498
522 1724.829 0.55995733
523 1674.089 0.03871045
524 1573.369 0.24962939
525 1508.840 0.40456937
526 1497.570 2.06360576
527 1430.837 0.35460738
528 1371.128 10.60163406
529 1330.869 4.12252205
530 1190.716 1.00617474
531 1145.304 0.02523814
532 1114.720 0.21735958
533 1047.196 1.17235468
534 1011.206 0.35061630
535 957.456 0.02165228
536 934.871 0.16071812
537 825.694 0.06139907
538 4013.404 1.07048082
539 4001.162 0.08828086
540 3484.122 0.06477221
541 3470.750 0.00464449
542 3404.309 0.01090861
543 3376.119 0.05354244
544 2203.201 0.03960964
545 2165.876 0.04679653
546 1862.467 0.10017784
547 1859.644 0.36666459
548 1788.220 72.42231314
549 1777.611 15.53021455
550 1755.798 1.00627842
551 1720.247 0.13397395
552 1708.133 0.13856229
553 1657.392 0.03455919
554 1556.672 0.02800140
555 1492.144 4.78919933
556 1480.874 2.55887614
557 1414.140 2.33860477
558 1354.431 1.99861563
559 1314.172 0.59906215
560 1174.019 0.22433996
561 1128.607 1.94918276
562 1098.023 1.38776704
563 1030.499 1.30444401
564 994.509 0.06291326
565 940.759 1.57614622
566 918.175 2.31967450
567 808.997 4.91538930
568 747.458 0.25907621
569 3891.182 0.04571606
570 3878.941 0.03509769
571 3361.901 0.03764838
572 3348.528 0.09909068
573 3282.088 0.00219896
574 3253.898 0.00789000
575 2080.980 0.05361559
576 2043.655 0.02004565
577 1740.246 0.02881159
578 1737.423 0.05959322
579 1665.999 0.04878965
580 1655.390 0.03899998
581 1633.577 0.02116370
582 1598.026 0.00500254
583 1585.912 0.05223765
584 1535.171 0.04807077
585 1434.451 2.03308280
586 1369.923 1.17471320
587 1358.652 6.70891793
588 1291.919 1.48428275
589 1232.210 0.03237322
590 1191.951 0.82959770
591 1051.798 1.30463207
592 1006.386 0.09787737
593 975.802 0.10437732
594 908.278 0.06676540
595 872.288 0.00881215
596 818.538 1.97317012
597 795.953 1.67673184
598 686.776 0.25771338
599 625.237 0.85010309
600 608.541 0.64853882
601 3869.243 0.00397633
602 3857.002 0.00241365
603 3339.962 0.13863669
604 3326.590 0.38410909
605 3260.149 0.03495638
606 3231.959 0.00795931
607 2059.041 0.00359520
608 2021.716 0.00880333
609 1718.307 0.32678692
610 1715.484 0.08839274
611 1644.060 0.00548716
612 1633.451 0.01841466
613 1611.638 0.01865351
614 1576.087 0.00521345
615 1563.973 0.00108630
616 1513.232 0.31881878
617 1412.512 0.82390787
618 1347.984 1.22881781
619 1336.714 1.57830646
620 1269.980 0.62449225
621 1210.271 0.47999105
622 1170.012 0.12708639
623 1029.859 0.03115146
624 984.447 0.00389682
625 953.863 1.31261249
626 886.339 0.04814769
627 850.349 0.01143323
628 796.599 0.07942371
629 774.015 0.00238105
630 664.837 0.00736918
631 603.298 0.04979891
632 586.602 0.31530434
633 464.380 0.01482309
634 3782.716 0.33085424
635 3770.475 0.00277343
636 3253.435 0.00119893
637 3240.062 0.00030698
638 3173.621 0.00029745
639 3145.431 0.00667687
640 1972.514 0.93818817
641 1935.189 0.03936903
642 1631.780 0.00024843
643 1628.956 0.00130515
644 1557.533 0.02697988
645 1546.924 0.04527785
646 1525.111 0.03879124
647 1489.560 0.01988326
648 1477.446 0.02779800
649 1426.705 1.21802099
650 1325.985 0.08956636
651 1261.456 0.01427489
652 1250.186 0.05923186
653 1183.453 4.43912321
654 1123.744 0.13535768
655 1083.485 0.08975932
656 943.332 0.52476651
657 897.920 0.17924273
658 867.336 0.08263729
659 799.812 0.02113475
660 763.822 0.94342655
661 710.072 0.45525862
662 687.487 1.38326097
663 578.310 19.28401985
664 516.771 0.18924744
665 500.074 4.22984574
666 377.853 4.38895526
667 355.914 0.00053132
668 3741.935 1.69806585
669 3729.694 0.05365656
670 3212.654 0.04155017
671 3199.281 0.01621901
672 3132.841 0.00183852
673 3104.650 0.06572530
674 1931.733 0.20291616
675 1894.408 0.54127146
676 1590.999 0.01105026
677 1588.176 0.00825701
678 1516.752 0.19465878
679 1506.143 0.28917554
680 1484.330 0.37839783
681 1448.779 0.09120120
682 1436.665 0.17825733
683 1385.924 2.87298538
684 1285.204 5.61412312
685 1220.676 0.20047176
686 1209.405 1.26086363
687 1142.672 0.43910083
688 1082.963 0.10742816
689 1042.704 0.90202788
690 902.551 0.02602164
691 857.139 0.10018679
692 826.555 0.34013859
693 759.031 6.67120727
694 723.041 0.56771784
695 669.291 0.17697673
696 646.706 0.85296402
697 537.529 3.81496084
698 475.990 0.45393432
699 459.293 22.87120146
700 337.072 1.37569034
701 315.133 0.03007925
702 228.606 1.77650292
IR Spectrum
Peak Width (cm-1)

Quote

BUT 'GLORY' DOESN'T MEAN 'A NICE KNOCK DOWN ARGUMENT', ALICE OBJECTED. WHEN I USE A WORD, HUMPTY DUMPTY SAID, IN A RATHER SCORNFUL TONE, IT MEANS JUST WHAT I CHOOSE IT TO MEAN.... NEITHER MORE NOR LESS.... THE QUESTION IS, SAID ALICE, WHETHER YOU CAN MAKE WORDS MEAN SO MANY DIFFERENT THINGS... THE QUESTION IS, SAID HUMPTY DUMPTY, WHICH IS TO BE MASTER.... THAT IS ALL..... ALICE THROUGH THE LOOKING GLASS