WebMO Job Summary

Quantity	Value
Route	#N wB97XD/def2tzvp OPT(maxstep=10,maxcycles=50,VeryTight) FREQ(Anharmonic,vibrot) int=ultrafine
Method	wB97XD
Stoichiometry	C5H7NO2
Symmetry	CS
Basis	def2TZVP
RwB97XD Energy	-400.014696706 Hartree
ZPE	0.120958 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-399.886197 Hartree
Enthalpy	-399.885252 Hartree
Free Energy	-399.926666 Hartree
Cv	26.450 cal/mol-K
Entropy	87.162 cal/mol-K
Dipole Moment	1.6157 Debye
Server	batch (116851)
CPU time	613678.7 sec

Step	Energy (au)
0	-400.014765943
1	-400.014765976
2	-400.014765979
3	-400.014765979
4	-400.014765979
5	-400.014765979
6	-400.014765979
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	3.12797	0.10433784829
b	2.26306	0.07548755613
c	1.34580	0.04489105593

Atom	Symbol	Charge
1	C	-0.163408
2	C	-0.167023
3	C	0.210763
4	N	-0.098225
5	C	0.207329
6	O	-0.345905
7	C	-0.271110
8	H	0.141792
9	H	0.141792
10	H	0.165899
11	O	-0.351673
12	H	0.132774
13	H	0.132774
14	H	0.132110
15	H	0.132110

				Show all
Mode	Symmetry	Frequency (cm-1)	IR Intensity	Actions
1	A"	53.7435	0.1502
2	A"	88.8308	0.0021
3	A"	123.3265	15.6962
4	A"	220.4061	0.7661
5	A'	288.1627	4.6714
6	A'	393.6519	26.1427
7	A'	573.9630	0.2327
8	A"	582.8930	0.6767
9	A"	587.7101	3.4677
10	A'	606.5057	4.3000
11	A'	685.7458	47.8102
12	A'	725.6768	0.2237
13	A"	843.3018	10.6925
14	A'	969.6949	22.7113
15	A'	1030.5604	6.0245
16	A"	1034.3013	0.0073
17	A'	1104.1480	17.3810
18	A'	1147.0733	111.3305
19	A"	1162.0121	0.8568
20	A"	1178.8457	1.1123
21	A"	1257.6067	0.0059
22	A'	1293.2038	7.4370
23	A'	1324.7043	28.3526
24	A'	1332.5257	152.0150
25	A'	1438.8884	62.8530
26	A'	1463.7650	1.3009
27	A'	1475.2935	178.1321
28	A'	1487.5281	1.3096
29	A"	1495.5331	11.7705
30	A'	1515.5596	25.2987
31	A'	1816.6841	832.8726
32	A'	1883.7918	32.5087
33	A'	3075.7598	21.3677
34	A'	3099.6303	11.0065
35	A'	3106.6797	1.0851
36	A"	3140.3780	0.0007
37	A"	3148.3029	10.2825
38	A"	3155.8915	3.0315
39	A'	3182.1597	0.3030
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

Mode	Frequency (cm-1)	IR Intensity	Raman Intensity
1	2947.319	0.67880775
2	2945.869	3.02681432
3	2957.549	10.28421575
4	2829.420	16.00172802
5	1855.405	26.75719405
6	1790.305	705.03577326
7	1481.302	20.22788369
8	1458.328	55.21072697
9	1433.610	143.11963456
10	1436.211	9.07502762
11	1396.789	55.67253173
12	1292.325	28.34631946
13	1303.609	112.40516479
14	1267.619	6.88947499
15	1110.348	51.25366107
16	1075.859	16.67164247
17	1010.916	5.82618412
18	947.892	14.43033483
19	716.832	0.14009805
20	662.480	24.61968670
21	599.602	5.04110251
22	571.049	0.06870601
23	375.224	26.17474826
24	239.235	4.82227225
25	2975.745	6.83846769
26	2905.093	11.31608288
27	2960.220	0.00000087
28	1453.056	9.69855635
29	1232.884	0.00198178
30	1171.512	0.57555598
31	1135.021	0.34753471
32	1021.175	0.00731951
33	840.048	9.71733655
34	581.103	2.87307318
35	579.061	2.52924495
36	219.559	3.60970457
37	117.657	12.40000334
38	108.959	0.00210701
39	-216.203	2.73527840
40	5788.537	0.17334684
41	5911.447	0.15582026
42	5851.956	0.01552054
43	5643.661	0.02028824
44	3701.904	0.23537208
45	3571.416	0.44023195
46	2958.894	1.53623523
47	2911.084	0.16780298
48	2864.001	1.34771574
49	2865.826	0.24981492
50	2791.498	0.05155094
51	2588.141	0.08580195
52	2595.585	0.14071056
53	2528.629	0.10309998
54	2217.865	0.14184682
55	2156.830	1.05047787
56	2015.654	0.12158674
57	1895.355	0.18697561
58	1433.575	2.19044719
59	1353.370	0.14559474
60	1199.017	0.01375256
61	1143.852	57.40243422
62	749.322	0.00571257
63	470.618	0.04821840
64	5947.304	0.00859003
65	5696.281	0.48366337
66	5747.316	0.86404408
67	2913.630	4.06701203
68	2461.560	0.01131245
69	2314.733	0.14738082
70	2294.624	0.07480269
71	2041.000	0.00621261
72	1683.492	0.14014619
73	1162.775	0.02605847
74	1159.053	0.24715081
75	431.191	0.25846999
76	244.318	0.00001715
77	230.128	0.11524934
78	-618.954	0.82882596
79	6288.839	0.00015601
80	6281.790	0.00017209
81	6206.310	0.03914708
82	6257.919	0.05852617
83	6182.439	0.00011196
84	6175.390	0.00064564
85	5065.951	0.04415346
86	4990.471	0.12784611
87	4983.422	0.11466647
88	4959.552	0.10899208
89	4998.844	0.01568100
90	4923.364	0.05773286
91	4916.314	0.04355272
92	4892.444	0.04729514
93	3700.476	8.12523246
94	4697.719	0.12857898
95	4622.239	0.00073355
96	4615.190	0.00165300
97	4591.319	0.08283018
98	3399.351	0.08655950
99	3332.244	0.01086122
100	4669.688	0.02217318
101	4594.208	0.05882916
102	4587.158	0.04833095
103	4563.288	0.03492586
104	3371.320	0.08983023
105	3304.212	0.01852066
106	3003.088	0.07719637
107	4657.453	0.20768057
108	4581.973	0.00025135
109	4574.924	0.00252803
110	4551.053	0.14145942
111	3359.085	0.05282399
112	3291.978	0.15657032
113	2990.853	0.11443804
114	2962.822	0.17368870
115	4645.925	0.00212432
116	4570.445	0.02696988
117	4563.395	0.18771606
118	4539.525	0.00222788
119	3347.557	0.00900786
120	3280.449	0.00897531
121	2979.325	0.02878528
122	2951.293	3.90171049
123	2939.059	0.23089607
124	4621.048	0.63667598
125	4545.568	0.00548653
126	4538.519	0.00496477
127	4514.648	0.19708589
128	3322.680	0.00480614
129	3255.573	0.01221519
130	2954.448	0.33018722
131	2926.417	0.00295117
132	2914.182	0.16558377
133	2902.653	0.04846133
134	4514.685	0.09301707
135	4439.205	0.01357736
136	4432.156	0.00216600
137	4408.285	0.00930692
138	3216.317	0.05416382
139	3149.210	0.00688842
140	2848.085	0.24323134
141	2820.054	0.67701432
142	2807.819	0.92520647
143	2796.291	0.06897599
144	2771.414	1.30084088
145	4506.864	0.07559534
146	4431.384	0.00217943
147	4424.335	0.00101740
148	4400.464	0.01882234
149	3208.496	0.66082228
150	3141.388	0.04743212
151	2840.264	0.09067796
152	2812.232	0.00241425
153	2799.998	0.37761160
154	2788.469	0.03492254
155	2763.593	0.55777080
156	2657.230	0.11746970
157	4475.363	0.00056502
158	4399.883	0.00758763
159	4392.834	0.00002344
160	4368.964	0.00553478
161	3176.996	0.01380313
162	3109.888	0.28861478
163	2808.763	0.00242912
164	2780.732	0.06743639
165	2768.497	0.03672701
166	2756.969	0.01193935
167	2732.092	0.01211964
168	2625.730	0.02940848
169	2617.908	0.00943094
170	4329.233	0.12973763
171	4253.753	0.00490622
172	4246.704	0.01330112
173	4222.833	0.03861431
174	3030.865	0.03586040
175	2963.757	0.00489428
176	2662.633	0.14744669
177	2634.601	0.24385489
178	2622.367	0.91608954
179	2610.838	0.05311124
180	2585.962	0.22207465
181	2479.599	0.17166797
182	2471.778	0.06593371
183	2440.277	0.00174643
184	4286.308	0.00035026
185	4210.828	0.00617973
186	4203.778	0.01197651
187	4179.908	0.09811736
188	2987.940	0.00124287
189	2920.832	0.02794497
190	2619.708	0.03362337
191	2591.676	0.16954786
192	2579.441	0.08320654
193	2567.913	0.01651988
194	2543.036	0.01022037
195	2436.674	0.53008269
196	2428.852	0.00562978
197	2397.352	0.00358524
198	2251.221	1.33558089
199	4212.720	0.00087744
200	4137.240	0.03372436
201	4130.191	0.12566441
202	4106.320	0.00025898
203	2914.352	0.00103857
204	2847.245	0.01287101
205	2546.120	0.00385377
206	2518.089	0.00225805
207	2505.854	0.00913870
208	2494.325	0.08976024
209	2469.449	0.00050543
210	2363.086	0.20399085
211	2355.265	0.10977397
212	2323.764	0.03761423
213	2177.634	0.00029800
214	2134.708	0.00530113
215	4151.855	0.09743348
216	4076.375	0.00111615
217	4069.325	0.00090163
218	4045.455	0.02597264
219	2853.487	0.18231403
220	2786.379	0.00906834
221	2485.254	0.12004360
222	2457.223	0.13064433
223	2444.988	0.85837983
224	2433.460	0.02117115
225	2408.583	0.22440668
226	2302.221	0.70251050
227	2294.399	0.00554608
228	2262.899	0.02314938
229	2116.768	0.16865440
230	2073.843	0.87429360
231	2000.255	0.07196905
232	3907.836	0.00319013
233	3832.356	0.00750844
234	3825.307	0.00029088
235	3801.437	0.01086308
236	2609.469	0.04607381
237	2542.361	0.99129761
238	2241.236	0.08687222
239	2213.205	0.00125291
240	2200.970	0.49351324
241	2189.442	0.01115327
242	2164.565	0.04559202
243	2058.202	1.44240466
244	2050.381	1.06128460
245	2018.881	0.17320695
246	1872.750	1.60339624
247	1829.825	0.00011622
248	1756.237	0.01231297
249	1695.372	1.53495719
250	3867.905	0.00111203
251	3792.425	0.04835969
252	3785.376	0.05898452
253	3761.506	0.00371225
254	2569.538	0.04407952
255	2502.430	0.03149899
256	2201.305	0.07856182
257	2173.274	0.10148786
258	2161.039	1.00427742
259	2149.511	0.01425799
260	2124.634	0.53874532
261	2018.272	0.05495812
262	2010.450	0.00899067
263	1978.950	0.35779673
264	1832.819	2.61926115
265	1789.894	60.80466315
266	1716.306	1.63835766
267	1655.441	0.81349370
268	1411.423	1.22083568
269	3788.665	0.00457556
270	3713.185	0.00117186
271	3706.136	0.00005334
272	3682.265	0.02136120
273	2490.297	0.00583111
274	2423.190	0.57051201
275	2122.065	0.00137993
276	2094.034	0.01900100
277	2081.799	0.00342205
278	2070.271	0.00557007
279	2045.394	0.00769583
280	1939.031	2.16122496
281	1931.210	0.20630113
282	1899.709	1.75053900
283	1753.579	8.22133365
284	1710.654	0.22718391
285	1637.066	0.14945434
286	1576.201	1.37842051
287	1332.182	1.13536953
288	1292.252	0.71108285
289	3756.123	0.00074278
290	3680.643	0.00672406
291	3673.593	0.03475760
292	3649.723	0.00077883
293	2457.755	0.14723676
294	2390.647	0.00655302
295	2089.523	0.00631688
296	2061.491	0.07313753
297	2049.257	0.02484000
298	2037.728	0.00910870
299	2012.851	0.11809066
300	1906.489	0.02136496
301	1898.667	2.04578169
302	1867.167	0.17362234
303	1721.036	0.58969888
304	1678.111	0.80321190
305	1604.523	0.00034100
306	1543.658	1.92077721
307	1299.640	0.96423231
308	1259.709	0.00844612
309	1180.469	0.85291851
310	3575.812	0.02558185
311	3500.332	0.00062371
312	3493.282	0.00101848
313	3469.412	0.00507984
314	2277.444	0.06592803
315	2210.336	0.01557242
316	1909.211	0.06566697
317	1881.180	1.05620028
318	1868.945	0.03849412
319	1857.417	0.01382664
320	1832.540	0.44242040
321	1726.178	0.92753157
322	1718.356	0.30634655
323	1686.856	0.00493225
324	1540.725	1.29192707
325	1497.800	3.21203270
326	1424.212	0.03961478
327	1363.347	29.09984089
328	1119.329	3.57553187
329	1079.398	0.03858811
330	1000.158	0.07703011
331	967.615	11.69502422
332	3470.322	0.12410360
333	3394.842	0.00018726
334	3387.793	0.00055168
335	3363.922	0.03962472
336	2171.954	0.15975482
337	2104.847	0.08960834
338	1803.722	8.28628003
339	1775.691	0.00635560
340	1763.456	0.34433016
341	1751.928	0.00199364
342	1727.051	0.49697339
343	1620.688	0.03136163
344	1612.867	0.03653316
345	1581.366	0.01484532
346	1435.236	31.46573306
347	1392.311	3.12708997
348	1318.723	1.01080314
349	1257.858	0.17477465
350	1013.839	0.02176564
351	973.908	0.60062918
352	894.668	0.04518038
353	862.126	0.00010781
354	681.815	5.27001848
355	6338.051	0.00000576
356	6262.571	0.13738786
357	6255.522	0.00001036
358	6231.651	0.00072604
359	5039.683	0.13862989
360	4972.576	0.00000182
361	4671.451	0.00580888
362	4643.420	0.36282387
363	4631.185	0.00001183
364	4619.656	0.00015653
365	4594.780	0.01627942
366	4488.417	0.00046107
367	4480.596	0.00028113
368	4449.095	0.04640680
369	4302.965	0.00039379
370	4260.039	0.03268131
371	4186.452	0.02799126
372	4125.586	0.00019578
373	3881.568	0.00686120
374	3841.637	0.00002342
375	3762.397	0.00016326
376	3729.855	0.00000519
377	3549.543	0.00000550
378	3444.054	0.00001540
379	6330.463	0.12510098
380	6254.983	0.00018854
381	6247.933	0.00002362
382	6224.063	0.15372753
383	5032.095	0.04582777
384	4964.987	0.00609216
385	4663.862	0.35163864
386	4635.831	0.01460171
387	4623.596	0.00715005
388	4612.068	0.00445041
389	4587.191	0.45845969
390	4480.829	0.01040115
391	4473.007	0.00929289
392	4441.507	0.00102053
393	4295.376	0.00425229
394	4252.451	0.01399266
395	4178.863	0.00000028
396	4117.998	0.00004813
397	3873.980	0.00257874
398	3834.049	0.00057069
399	3754.809	0.01538054
400	3722.266	0.00028544
401	3541.955	0.00183144
402	3436.466	0.00998717
403	6304.194	0.00003323
404	6322.538	0.00002810
405	6247.058	0.00006613
406	6240.008	0.54723994
407	6216.138	0.00002330
408	5024.170	0.00004798
409	4957.062	0.06676607
410	4655.938	0.00225140
411	4627.906	0.00047670
412	4615.671	0.00299754
413	4604.143	0.52324749
414	4579.266	0.00063925
415	4472.904	0.00081880
416	4465.082	0.00006222
417	4433.582	0.00003320
418	4287.451	0.01402497
419	4244.526	0.00000478
420	4170.938	0.00000865
421	4110.073	0.00243544
422	3866.055	0.00003799
423	3826.124	0.04736736
424	3746.884	0.00000008
425	3714.341	0.01518939
426	3534.030	0.00000324
427	3428.541	0.00022679
428	6296.269	0.22077638
429	6288.681	0.00048802
430	4677.693	0.27933193
431	4602.213	0.00000423
432	4595.163	0.00001830
433	4571.293	0.27922168
434	3379.325	0.00245336
435	3312.217	0.00000743
436	3011.093	0.00591994
437	2983.061	0.01196293
438	2970.827	0.10253840
439	2959.298	0.00044629
440	2934.422	0.15442805
441	2828.059	0.00034317
442	2820.237	0.00023716
443	2788.737	0.00021375
444	2642.606	0.01280860
445	2599.681	0.00180066
446	2526.094	0.00013084
447	2465.228	0.02479906
448	2221.210	0.00108191
449	2181.279	0.00074490
450	2102.039	0.00000379
451	2069.496	0.00061124
452	1889.185	0.00022052
453	1783.696	0.00104514
454	4651.425	0.00013345
455	4643.836	0.34438633
456	4635.911	0.00005359
457	4439.766	0.00014511
458	4364.286	0.00000009
459	4357.237	0.03189233
460	4333.367	0.00049731
461	3141.398	0.00091442
462	3074.291	0.01103749
463	2773.166	0.00002306
464	2745.135	0.00001091
465	2732.900	0.00022395
466	2721.372	0.01587966
467	2696.495	0.00043104
468	2590.132	0.00232281
469	2582.311	0.03606169
470	2550.811	0.00003245
471	2404.680	0.04366261
472	2361.755	0.00010217
473	2288.167	0.00002190
474	2227.302	0.01833339
475	1983.283	0.00001413
476	1943.353	0.00296568
477	1864.112	0.00003132
478	1831.570	0.00676217
479	1651.259	0.00000315
480	1545.769	0.00018685
481	4413.498	0.06669507
482	4405.910	0.00206067
483	4397.985	0.00397497
484	2753.140	0.00069261
485	4361.005	0.00179126
486	4285.525	0.01725613
487	4278.476	0.00003289
488	4254.606	0.00875910
489	3062.638	0.01955068
490	2995.530	0.00000415
491	2694.405	0.00323257
492	2666.374	0.01620412
493	2654.139	0.00124176
494	2642.611	0.00004847
495	2617.734	0.00083105
496	2511.371	0.00036144
497	2503.550	0.00003741
498	2472.050	0.06812898
499	2325.919	0.00000083
500	2282.994	0.00061829
501	2209.406	0.08497809
502	2148.541	0.00005610
503	1904.523	0.00394459
504	1864.592	0.00000197
505	1785.351	0.00150739
506	1752.809	0.00009147
507	1572.498	0.00000933
508	1467.008	0.03559314
509	4334.737	0.00493096
510	4327.149	0.00951036
511	4319.224	0.01071197
512	2674.379	0.01303590
513	2436.452	0.11653168
514	4344.172	0.02307134
515	4268.692	0.00012408
516	4261.642	0.00152385
517	4237.772	0.13628441
518	3045.804	0.00088246
519	2978.696	0.00134479
520	2677.572	0.03441415
521	2649.540	0.00240729
522	2637.306	0.04217166
523	2625.777	0.00078675
524	2600.901	0.03387217
525	2494.538	0.00640217
526	2486.716	0.00288842
527	2455.216	0.00699927
528	2309.085	0.00074292
529	2266.160	0.01114645
530	2192.573	0.00098364
531	2131.707	0.00055216
532	1887.689	0.00606796
533	1847.758	0.00039854
534	1768.518	0.00851106
535	1735.975	0.00343459
536	1555.664	0.00056031
537	1450.175	0.39437695
538	4317.904	0.00142237
539	4310.315	0.07694811
540	4302.390	0.00070429
541	2657.545	0.40475947
542	2419.619	0.00301684
543	2340.858	0.00234202
544	4216.461	0.00012707
545	4140.981	0.00006333
546	4133.932	0.25309975
547	4110.061	0.00006166
548	2918.093	0.00000127
549	2850.985	0.01733727
550	2549.861	0.00002641
551	2521.829	0.00009935
552	2509.595	0.00118423
553	2498.066	0.32564121
554	2473.190	0.00105682
555	2366.827	0.08556655
556	2359.006	0.01575223
557	2327.505	0.00014398
558	2181.375	0.02273846
559	2138.449	0.00008812
560	2064.862	0.00001768
561	2003.996	0.00213879
562	1759.978	0.00002894
563	1720.047	0.00834146
564	1640.807	0.00000086
565	1608.264	0.00065493
566	1427.953	0.00002362
567	1322.464	0.00000194
568	4190.193	0.07041402
569	4182.604	0.00494319
570	4174.679	0.00423087
571	2529.834	0.00791826
572	2291.908	0.03627905
573	2213.147	0.00022114
574	2196.313	0.00155069
575	4025.461	0.00047046
576	3949.981	0.15306997
577	3942.932	0.00002557
578	3919.062	0.00165865
579	2727.094	0.01002460
580	2659.986	0.00000112
581	2358.861	0.00182620
582	2330.830	0.36634887
583	2318.595	0.09121822
584	2307.067	0.00000059
585	2282.190	0.01523267
586	2175.828	0.00069997
587	2168.006	0.00053225
588	2136.506	0.01458007
589	1990.375	0.00046213
590	1947.450	0.01104588
591	1873.862	0.01900345
592	1812.997	0.00131183
593	1568.979	0.00000342
594	1529.048	0.00116354
595	1449.808	0.00033337
596	1417.265	0.00047184
597	1236.954	0.00062698
598	1131.464	0.00000572
599	3999.193	0.00371285
600	3991.605	0.00195737
601	3983.680	0.03177356
602	2338.835	0.00019798
603	2100.909	0.00897944
604	2022.148	0.16666777
605	2005.314	0.01648607
606	1877.603	6.94496177
607	3769.870	0.00028974
608	3694.390	0.00429909
609	3687.340	0.00224624
610	3663.470	0.00289319
611	2471.502	0.04149824
612	2404.394	0.00164707
613	2103.270	0.00003335
614	2075.238	0.26301537
615	2063.004	0.03564168
616	2051.475	0.02687846
617	2026.599	0.00253114
618	1920.236	0.00093691
619	1912.414	0.00814946
620	1880.914	0.00391360
621	1734.783	0.00018264
622	1691.858	0.00166032
623	1618.271	0.00031519
624	1557.405	0.05309884
625	1313.387	0.00464117
626	1273.456	0.00145893
627	1194.216	0.06787626
628	1161.673	1.78716766
629	981.362	0.00247575
630	875.873	0.00057536
631	3743.602	0.08932173
632	3736.013	0.00052093
633	3728.088	0.01216252
634	2083.243	0.00638197
635	1845.317	0.20566420
636	1766.556	1.31017075
637	1749.722	0.21974432
638	1622.011	0.99115520
639	1431.012	16.70750420
640	3765.053	0.00019450
641	3689.573	0.00063659
642	3682.523	0.01029939
643	3658.653	0.00088943
644	2466.685	0.00916365
645	2399.577	0.00892747
646	2098.453	0.00067425
647	2070.421	0.04747240
648	2058.187	0.01567285
649	2046.658	0.13097823
650	2021.781	0.00135598
651	1915.419	0.01882360
652	1907.597	0.02354829
653	1876.097	0.00159036
654	1729.966	0.00800191
655	1687.041	0.00038557
656	1613.453	0.00005619
657	1552.588	0.00411314
658	1308.570	0.00070174
659	1268.639	0.00088622
660	1189.399	0.02970212
661	1156.856	0.14386327
662	976.545	0.00051702
663	871.056	0.00143302
664	3738.784	0.01810243
665	3731.196	0.00091181
666	3723.271	0.05286897
667	2078.426	0.00416392
668	1840.500	0.18529487
669	1761.739	5.88569584
670	1744.905	0.15997717
671	1617.194	0.20739897
672	1426.195	4.57379054
673	1170.603	0.08521083
674	3402.566	0.00093397
675	3327.086	0.00004787
676	3320.036	0.00000584
677	3296.166	0.00484113
678	2104.198	0.02966322
679	2037.090	0.00023383
680	1735.966	0.00024524
681	1707.934	0.01285662
682	1695.700	0.03585089
683	1684.171	0.00041677
684	1659.295	0.02806457
685	1552.932	0.01168021
686	1545.110	0.01443197
687	1513.610	0.00536446
688	1367.479	0.01107055
689	1324.554	0.10590346
690	1250.967	0.00568953
691	1190.101	0.00007031
692	946.083	0.04497420
693	906.152	0.00001721
694	826.912	0.03943986
695	794.369	0.00001277
696	614.058	0.01755517
697	508.569	0.00021803
698	3376.298	0.01687583
699	3368.709	0.05691470
700	3360.784	0.00159159
701	1715.939	0.19278536
702	1478.013	2.25055091
703	1399.252	0.05991840
704	1382.418	0.97971851
705	1254.707	0.57937578
706	1063.708	0.01232544
707	808.116	0.01299935
708	803.299	0.00575051
709	3305.486	0.00003749
710	3230.006	0.00191210
711	3222.957	0.00000005
712	3199.086	0.01014980
713	2007.118	0.81740252
714	1940.011	0.00005300
715	1638.886	0.00086250
716	1610.855	0.01537363
717	1598.620	0.00019264
718	1587.091	0.00001513
719	1562.215	0.04009769
720	1455.852	0.00850707
721	1448.031	0.00437709
722	1416.530	0.00075477
723	1270.400	0.00211072
724	1227.474	0.00256514
725	1153.887	0.01631689
726	1093.021	0.00244997
727	849.003	0.00489488
728	809.072	0.00001313
729	729.832	0.00000968
730	697.289	0.00000003
731	516.978	0.00903706
732	411.489	0.00001389
733	3279.218	0.02192355
734	3271.629	0.00101179
735	3263.704	0.00186862
736	1618.860	0.01977782
737	1380.933	0.00404509
738	1302.172	0.12361684
739	1285.339	0.05540538
740	1157.628	5.44764763
741	966.628	0.01166871
742	711.037	0.69180079
743	706.219	5.46922342
744	343.733	0.40713770
745	3270.990	0.00090308
746	3195.510	0.00006793
747	3188.461	0.00902803
748	3164.591	0.00295569
749	1972.623	0.00006883
750	1905.515	0.41591202
751	1604.390	0.00010074
752	1576.359	0.00014514
753	1564.124	0.00545866
754	1552.596	0.34455721
755	1527.719	0.00793715
756	1421.357	0.06475304
757	1413.535	0.00997961
758	1382.035	0.00004933
759	1235.904	0.02632197
760	1192.979	0.00060689
761	1119.391	0.00000301
762	1058.526	0.00610630
763	814.508	0.00000009
764	774.577	0.49687295
765	695.336	0.00000062
766	662.794	0.07595934
767	482.483	0.00001259
768	376.993	0.00011746
769	3244.722	0.14126189
770	3237.134	0.00383275
771	3229.209	0.37177805
772	1584.364	0.01529973
773	1346.438	0.01027133
774	1267.677	0.07564997
775	1250.843	0.08211013
776	1123.132	0.24178647
777	932.133	0.17044107
778	676.541	15.82103131
779	671.724	0.15478916
780	309.237	0.01206262
781	212.157	0.05559531
782	3235.903	0.24998954
783	3160.423	0.00077533
784	3153.374	0.05748524
785	3129.503	0.67846159
786	1937.535	0.01586001
787	1870.428	0.00806677
788	1569.303	0.37375214
789	1541.272	0.02496131
790	1529.037	0.43791745
791	1517.509	0.00003781
792	1492.632	0.66313050
793	1386.269	0.01133508
794	1378.448	0.00376713
795	1346.947	0.00107338
796	1200.817	0.00827938
797	1157.892	0.00004289
798	1084.304	0.00000243
799	1023.438	0.00176690
800	779.420	0.00000627
801	739.489	0.00002241
802	660.249	0.00065408
803	627.707	0.00057298
804	447.395	0.00046423
805	341.906	0.00006436
806	3209.635	0.00134046
807	3202.046	0.41549043
808	3194.122	0.00140717
809	1549.277	11.23048380
810	1311.350	1.52047154
811	1232.589	0.12869731
812	1215.756	4.29981957
813	1088.045	0.15773919
814	897.045	0.00998606
815	641.454	0.03824352
816	636.637	0.00140500
817	274.150	0.00037050
818	177.070	0.00130969
819	142.574	0.00717346
IR Spectrum
Raman Spectrum
Peak Width (cm-1)

HEAVEN'S NET CASTS WIDE. THOUGH ITS MESHES ARE COARSE, NOTHING SLIPS THROUGH. -- LAO-TSU