Frequency(cm-1)	II-PBE+TS-0.96	II-PBE+TS-1.00	II-PBE+TS-1.04
0	0.0412409823	0.0270854115	0.0296799251
1.0006923	0.0454998208	0.0313865091	0.0345421854
2.0013846	0.0501591336	0.0361746025	0.0399870514
3.0020769	0.0552392164	0.0414750141	0.0460511004
4.0027692	0.0607575844	0.0473109341	0.0527693249
5.0034615	0.0667287755	0.0537031845	0.0601748404
6.0041538	0.0731642912	0.0606700531	0.0682986609
7.0048461	0.0800726746	0.0682271991	0.0771695499
8.0055384	0.0874597131	0.0763876355	0.0868139501
9.0062307	0.0953287506	0.0851617833	0.0972559948
10.006923	0.1036810859	0.0945575961	0.1085175959
11.0076153	0.1125164365	0.1045807472	0.1206186058
12.0083076	0.1218334412	0.1152348716	0.1335770445
13.0089999	0.1316301803	0.1265218532	0.1474093819
14.0096922	0.1419046925	0.1384421492	0.1621308662
15.0103845	0.1526554726	0.1509951398	0.1777558868
16.0110768	0.1638819365	0.164179497	0.19429836
17.0117691	0.1755848443	0.1779935624	0.2117721301
18.0124614	0.1877666752	0.192435729	0.2301913736
19.0131537	0.2004319496	0.2075048207	0.2495710017
20.013846	0.2135874936	0.2232004634	0.2699270542
21.0145383	0.2272426431	0.2395234453	0.2912770789
22.0152306	0.2414093785	0.2564760602	0.3136404947
23.0159229	0.2561023845	0.274062429	0.3370389327
24.0166152	0.2713390203	0.2922887924	0.3614965542
25.0173075	0.2871391873	0.3111637665	0.3870403396
26.0179998	0.3035250765	0.3306985491	0.4137003442
27.0186921	0.3205207773	0.3509070636	0.4415099128
28.0193844	0.3381517304	0.3718060232	0.4705058434
29.0200767	0.3564440093	0.3934148952	0.500728488
30.020769	0.3754234207	0.4157557463	0.5322217763
31.0214613	0.3951144236	0.4388529452	0.5650331452
32.0221536	0.4155388748	0.462732703	0.5992133576
33.0228459	0.4367146263	0.487422436	0.6348161934
34.0235382	0.4586540107	0.5129499372	0.6718980016
35.0242305	0.4813622711	0.5393423566	0.7105171041
36.0249228	0.5048360051	0.5666249995	0.7507330538
37.0256151	0.5290617072	0.5948199646	0.7926057613
38.0263074	0.5540145067	0.6239446629	0.836194518
39.0269997	0.5796571992	0.6540102733	0.8815569645
40.027692	0.6059396744	0.6850202078	0.9287480691
41.0283843	0.632798831	0.7169686755	0.9778192051
42.0290766	0.660159054	0.7498394461	1.028817432
43.0297689	0.6879333079	0.7836049216	1.081785102
44.0304612	0.7160248645	0.8182256249	1.13675992
45.0311535	0.7443296526	0.8536502091	1.193775593
46.0318458	0.772739174	0.8898160748	1.252863176
47.0325381	0.801143894	0.926650662	1.314053227
48.0332304	0.8294369787	0.9640734496	1.377378808
49.0339227	0.857518223	1.001998662	1.442879349
50.034615	0.8852979915	1.040338642	1.510605303
51.0353073	0.9127009903	1.0790078	1.580623451
52.0359996	0.9396696879	1.117927031	1.653022615
53.0366919	0.9661672228	1.157028427	1.727919487
54.0373842	0.9921796626	1.196260127	1.805464135
55.0380765	1.017717517	1.235591093	1.885844754
56.0387688	1.042816448	1.27501565	1.969291116
57.0394611	1.067537171	1.314557592	2.05607619
58.0401534	1.091964581	1.354273737	2.146515429
59.0408457	1.116206181	1.394256802	2.240963239
60.041538	1.140389911	1.434637559	2.339806305
61.0422303	1.164661537	1.475586246	2.44345356
62.0429226	1.189181711	1.517313264	2.552322784
63.0436149	1.214122903	1.560069225	2.666824047
64.0443072	1.239666315	1.604144412	2.787340426
65.0449995	1.265998965	1.649867734	2.914206699
66.0456918	1.293311059	1.697605207	3.047686905
67.0463841	1.321793781	1.747757977	3.187951874
68.0470764	1.351637624	1.800759805	3.335057959
69.0477687	1.383031345	1.857073886	3.488928243
70.048461	1.416161619	1.917188799	3.649337516
71.0491533	1.451213448	1.981613304	3.815902156
72.0498456	1.48837134	2.05086969	3.988075894
73.0505379	1.527821218	2.125485347	4.165152134
74.0512302	1.569752998	2.205982275	4.346273154
75.0519225	1.614363684	2.292864354	4.530446139
76.0526148	1.661860773	2.386602293	4.716565567
77.0533071	1.712465705	2.487616396	4.903441093
78.0539994	1.766416995	2.59625748	5.089829698
79.0546917	1.823972663	2.712786541	5.274470616
80.055384	1.885411531	2.837353977	5.456121332
81.0560763	1.951032933	2.969979417	5.633592887
82.0567686	2.021154434	3.110533372	5.805782742
83.0574609	2.096107203	3.258722	5.971703605
84.0581532	2.176228793	3.414076304	6.130506881
85.0588455	2.261853202	3.575946984	6.281499706
86.0595378	2.353298281	3.743505936	6.424154936
87.0602301	2.450850725	3.915755124	6.55811384
88.0609224	2.554749064	4.091543117	6.683181679
89.0616147	2.665165295	4.269589175	6.79931667
90.062307	2.782185924	4.448514239	6.906613201
91.0629993	2.905793356	4.626877748	7.005280342
92.0636916	3.035848641	4.803218744	7.095616893
93.0643839	3.172076636	4.976099386	7.177984258
94.0650762	3.314054627	5.144148748	7.25277842
95.0657685	3.461205379	5.306104657	7.320402245
96.0664608	3.612795442	5.460851368	7.381239211
97.0671531	3.76793936	5.607451027	7.435629497
98.0678454	3.925610195	5.745167202	7.483849252
99.0685377	4.08465649	5.873479156	7.526093662
100.06923	4.243825494	5.992086062	7.562464341
101.0699223	4.401792143	6.100900922	7.5929614
102.0706146	4.557192959	6.200034499	7.617480494
103.0713069	4.708663702	6.289770166	7.635815004
104.0719992	4.854879317	6.370531051	7.64766344
105.0726915	4.994594481	6.442841303	7.652642015
106.0733838	5.126682854	6.507283598	7.650302225
107.0740761	5.250173064	6.564455205	7.640153075
108.0747684	5.364279465	6.614925026	7.621687413
109.0754607	5.468425835	6.659193899	7.594411591
110.076153	5.562260429	6.697660314	7.557877421
111.0768453	5.645661207	6.730593357	7.511715188
112.0775376	5.71873051	6.758114296	7.455666239
113.0782299	5.781779064	6.78018774	7.389613527
114.0789222	5.835299811	6.796622791	7.313608414
115.0796145	5.879932699	6.807084028	7.227892057
116.0803068	5.916422197	6.811111657	7.132909841
117.0809991	5.945569793	6.808149636	7.029317572
118.0816914	5.968184149	6.797580148	6.917978513
119.0823837	5.985031797	6.778762469	6.799950803
120.083076	5.996791298	6.751074031	6.676465321
121.0837683	6.004013606	6.713951385	6.548894612
122.0844606	6.007090999	6.666928807	6.418714062
123.0851529	6.006236417	6.609672453	6.287456967
124.0858452	6.001474335	6.542008258	6.156665621
125.0865375	5.99264357	6.463942202	6.027840787
126.0872298	5.979411628	6.375672017	5.902392128
127.0879221	5.961299487	6.27758997	5.781592136
128.0886144	5.937715035	6.170276885	5.666536
129.0893067	5.907992956	6.054488093	5.558109499
130.089999	5.871438507	5.931132458	5.456966641
131.0906913	5.827372534	5.801245972	5.363518208
132.0913836	5.775175176	5.665961677	5.277931807
133.0920759	5.714325942	5.526477754	5.200143399
134.0927682	5.644438242	5.384025601	5.129879689
135.0934605	5.56528697	5.239839566	5.066690197
136.0941528	5.476828217	5.095129713	5.009987363
137.0948451	5.379210766	4.951058667	4.959092648
138.0955374	5.272779471	4.808723174	4.913286341
139.0962297	5.158071018	4.6691406	4.871858647
140.096922	5.035802875	4.533240222	4.834159591
141.0976143	4.906856411	4.401858816	4.799645381
142.0983066	4.772255268	4.275739809	4.76791906
143.0989989	4.633140052	4.15553511	4.738763512
144.0996912	4.490740405	4.041808666	4.712165238
145.1003835	4.346345374	3.935040836	4.688327666
146.1010758	4.20127296	3.835632788	4.667673129
147.1017681	4.056839627	3.743910281	4.65083308
148.1024604	3.914330486	3.660126426	4.638626501
149.1031527	3.774970886	3.584463219	4.6320269
150.103845	3.639900074	3.517031828	4.632118735
151.1045373	3.51014765	3.457871835	4.640044536
152.1052296	3.386613465	3.406949695	4.656944454
153.1059219	3.270051639	3.364156832	4.68389043
154.1066142	3.161059216	3.329307758	4.721817562
155.1073065	3.060069904	3.30213863	4.771455652
156.1079988	2.967353119	3.282306599	4.833264177
157.1086911	2.883018329	3.269390253	4.907374092
158.1093834	2.807024454	3.262891339	4.993539847
159.1100757	2.739193766	3.262237919	5.091104797
160.110768	2.679229531	3.266788989	5.198982768
161.1114603	2.626736411	3.275840572	5.315657848
162.1121526	2.581242471	3.288633206	5.439203646
163.1128449	2.54222164	3.304360767	5.567322207
164.1135372	2.509115428	3.3221805	5.697401638
165.1142295	2.481352847	3.341224179	5.826590334
166.1149218	2.458367678	3.360610267	5.9518846
167.1156141	2.439612413	3.379457005	6.070225515
168.1163064	2.424568537	3.396896314	6.1786002
169.1169987	2.412753054	3.412088442	6.274142298
170.117691	2.403721432	3.424237222	6.354226445
171.1183833	2.397067404	3.432605851	6.416551919
172.1190756	2.392420207	3.436533016	6.459211377
173.1197679	2.389439964	3.435449197	6.480741634
174.1204602	2.387811991	3.428892886	6.480154707
175.1211525	2.387240753	3.416526459	6.456948691
176.1218448	2.38744417	3.398151318	6.411099409
177.1225371	2.388148836	3.373721905	6.343034979
178.1232294	2.389086588	3.3433581	6.253596443
179.1239217	2.389992705	3.307355466	6.143988265
180.124614	2.39060587	3.266192779	6.01572279
181.1253063	2.390669886	3.220536223	5.870562731
182.1259986	2.389937021	3.171239652	5.710465279
183.1266909	2.388172751	3.119340342	5.537530761
184.1273832	2.385161622	3.066049721	5.353957849
185.1280755	2.38071389	3.012738643	5.162006325
186.1287678	2.374672603	2.960916954	4.963967408
187.1294601	2.366920753	2.912207223	4.762140763
188.1301524	2.357388179	2.86831278	4.558816614
189.1308447	2.346057883	2.830980396	4.356260962
190.131537	2.332971463	2.801958229	4.156701687
191.1322293	2.318233366	2.782949912	3.962313486
192.1329216	2.302013698	2.775565927	3.775199901
193.1336139	2.284549315	2.781273605	3.597371268
194.1343062	2.26614295	2.801347324	3.430718064
195.1349985	2.247160134	2.836820581	3.276979895
196.1356908	2.22802369	2.888441702	3.137711036
197.1363831	2.209205628	2.956634944	3.014244074
198.1370754	2.191216325	3.041468691	2.90765368
199.1377677	2.17459095	3.142632278	2.818722846
200.13846	2.159873243	3.259422782	2.747914017
201.1391523	2.147596853	3.390742831	2.695347469
202.1398446	2.138264676	3.535110156	2.660788985
203.1405369	2.132326755	3.69067922	2.643648455
204.1412292	2.130157552	3.855274847	2.642990423
205.1419215	2.132033547	4.026437315	2.657556955
206.1426138	2.13811229	4.201477929	2.68580247
207.1433061	2.148414124	4.377543586	2.725939472
208.1439984	2.16280782	4.551688422	2.775993442
209.1446907	2.181001343	4.720950198	2.833864581
210.145383	2.202538802	4.882428705	2.897393625
211.1460753	2.226804405	5.033363239	2.964428701
212.1467676	2.253033932	5.171206006	3.03289006
213.1474599	2.280333835	5.293688383	3.100829637
214.1481522	2.307707644	5.398877071	3.166482677
215.1488445	2.334088888	5.485217625	3.228309138
216.1495368	2.358379324	5.551563339	3.2850232
217.1502291	2.379490857	5.59718824	3.335609937
218.1509214	2.396389259	5.621783787	3.379328987
219.1516137	2.408137595	5.625439806	3.415705842
220.152306	2.41393722	5.608611161	3.444512067
221.1529983	2.413164284	5.572072529	3.465736388
222.1536906	2.405399935	5.516864387	3.479549011
223.1543829	2.390452706	5.444233851	3.486261795
224.1550752	2.368372048	5.355574219	3.486286961
225.1557675	2.339452447	5.252367062	3.480096887
226.1564598	2.304228082	5.136130307	3.468187239
227.1571521	2.263458493	5.00837511	3.451045248
228.1578444	2.218106178	4.870573496	3.429124432
229.1585367	2.169307412	4.724137664	3.402826474
230.159229	2.118337851	4.570410871	3.372490458
231.1599213	2.066574661	4.410668734	3.338389108
232.1606136	2.015456941	4.246128991	3.300731321
233.1613059	1.966446175	4.077967101	3.259669904
234.1619982	1.92098827	3.907334711	3.21531331
235.1626905	1.880478536	3.735378006	3.167740018
236.1633828	1.846230677	3.563253165	3.117014259
237.1640751	1.819450555	3.392136714	3.063201906
238.1647674	1.801215175	3.223229203	3.006385467
239.1654597	1.792457023	3.057751508	2.946677373
240.166152	1.793953603	2.896933841	2.884230937
241.1668443	1.806321778	2.741998349	2.819248589
242.1675366	1.830016268	2.59413678	2.751987199
243.1682289	1.865331545	2.454485146	2.682760472
244.1689212	1.912406205	2.324097492	2.611938541
245.1696135	1.97122888	2.203920872	2.539945037
246.1703058	2.041644751	2.09477339	2.467251973
247.1709981	2.1233618	1.997326775	2.39437288
248.1716904	2.215956102	1.912094452	2.321854665
249.1723827	2.318875644	1.839425526	2.250268699
250.173075	2.43144245	1.77950456	2.180201631
251.1737673	2.552853089	1.732356571	2.112246411
252.1744596	2.682177973	1.697856323	2.046993966
253.1751519	2.81836017	1.675740753	1.985025888
254.1758442	2.960214771	1.665623343	1.926908389
255.1765365	3.106430024	1.667009237	1.873187687
256.1772288	3.255571596	1.67931012	1.824386797
257.1779211	3.406091299	1.701858091	1.781003611
258.1786134	3.55634144	1.733918025	1.743509958
259.1793057	3.704595663	1.774698236	1.712351233
260.179998	3.849076699	1.823359463	1.687946084
261.1806903	3.987990858	1.879022442	1.670685584
262.1813826	4.119568502	1.940774438	1.660931319
263.1820749	4.242109067	2.007675192	1.659011896
264.1827672	4.354028598	2.078762742	1.665217481
265.1834595	4.453907311	2.153059506	1.679792182
266.1841518	4.540534315	2.229578958	1.702924294
267.1848441	4.612946576	2.307333064	1.734734703
268.1855364	4.670459295	2.385340574	1.775263981
269.1862287	4.712685267	2.46263611	1.824458958
270.186921	4.739541409	2.538279937	1.882159754
271.1876133	4.751241438	2.611368203	1.948088353
272.1883056	4.74827462	2.681043403	2.021839859
273.1889979	4.731371503	2.746504825	2.102877528
274.1896902	4.701458524	2.807018687	2.190532457
275.1903825	4.659604218	2.861927747	2.284008643
276.1910748	4.606960443	2.910660119	2.382393729
277.1917671	4.54470244	2.952737092	2.484675442
278.1924594	4.47397167	2.987779721	2.589763288
279.1931517	4.395825216	3.015513974	2.696514744
280.193844	4.311195025	3.035774216	2.803764792
281.1945363	4.220859568	3.048504796	2.910357419
282.1952286	4.125429542	3.053759529	3.015177502
283.1959209	4.025348177	3.051698861	3.117181417
284.1966132	3.920905649	3.042584576	3.215424773
285.1973055	3.812266001	3.026771948	3.309085758
286.1979978	3.699504143	3.004699365	3.397482869
287.1986901	3.582649711	2.976875553	3.480086052
288.1993824	3.461734213	2.94386468	3.556520682
289.2000747	3.336837657	2.906269779	3.62656419
290.200767	3.20813105	2.864715035	3.690135561
291.2014593	3.075911541	2.819827659	3.747278314
292.2021516	2.94062764	2.772220088	3.798137961
293.2028439	2.802892775	2.722473343	3.842935224
294.2035362	2.663486346	2.671122321	3.881936548
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