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	hartrees
Energy at 0K	-268.557340
Energy at 298.15K	-268.563912
HF Energy	-267.672322
Nuclear repulsion energy	221.143635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3369	3148	0.79
2	A'	3356	3136	0.77
3	A'	3333	3115	1.05
4	A'	3228	3016	15.58
5	A'	3128	2923	27.55
6	A'	1669	1559	0.38
7	A'	1565	1462	7.23
8	A'	1562	1459	13.27
9	A'	1472	1376	0.73
10	A'	1449	1354	5.61
11	A'	1317	1230	1.99
12	A'	1296	1211	1.22
13	A'	1263	1180	26.18
14	A'	1126	1052	10.01
15	A'	1079	1009	22.29
16	A'	1038	970	1.71
17	A'	999	933	2.90
18	A'	892	833	20.22
19	A'	651	609	2.41
20	A'	320	299	0.74
21	A"	3214	3003	17.10
22	A"	1544	1443	4.89
23	A"	1091	1019	0.87
24	A"	798	746	1.02
25	A"	758	708	64.69
26	A"	696	650	0.05
27	A"	624	583	11.20
28	A"	582	543	0.46
29	A"	262	244	2.37
30	A"	120	112	0.01

Atom	x (Å)	y (Å)	z (Å)
O1	-0.685	-1.468	0.000
C2	-1.079	-0.160	0.000
C3	0.679	-1.458	0.000
C4	0.000	0.679	0.000
C5	1.146	-0.177	0.000
C6	-0.018	2.173	0.000
H7	-2.141	0.009	0.000
H8	1.152	-2.422	0.000
H9	2.180	0.123	0.000
H10	-1.040	2.547	0.000
H11	0.484	2.573	0.879
H12	0.484	2.573	-0.879

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3654	1.3641	2.2537	2.2409	3.7012	2.0732	2.0709	3.2775	4.0307	4.2978	4.2978
C2	1.3654		2.1846	1.3670	2.2249	2.5629	1.0753	3.1773	3.2713	2.7079	3.2693	3.2693
C3	1.3641	2.1846		2.2422	1.3640	3.6970	3.1780	1.0745	2.1803	4.3583	4.1305	4.1305
C4	2.2537	1.3670	2.2422		1.4301	1.4938	2.2434	3.3086	2.2499	2.1380	2.1435	2.1435
C5	2.2409	2.2249	1.3640	1.4301		2.6220	3.2920	2.2459	1.0766	3.4923	2.9617	2.9617
C6	3.7012	2.5629	3.6970	1.4938	2.6220		3.0312	4.7419	3.0058	1.0880	1.0888	1.0888
H7	2.0732	1.0753	3.1780	2.2434	3.2920	3.0312		4.0933	4.3224	2.7670	3.7737	3.7737
H8	2.0709	3.1773	1.0745	3.3086	2.2459	4.7419	4.0933		2.7449	5.4316	5.1162	5.1162
H9	3.2775	3.2713	2.1803	2.2499	1.0766	3.0058	4.3224	2.7449		4.0306	3.1069	3.1069
H10	4.0307	2.7079	4.3583	2.1380	3.4923	1.0880	2.7670	5.4316	4.0306		1.7596	1.7596
H11	4.2978	3.2693	4.1305	2.1435	2.9617	1.0888	3.7737	5.1162	3.1069	1.7596		1.7579
H12	4.2978	3.2693	4.1305	2.1435	2.9617	1.0888	3.7737	5.1162	3.1069	1.7596	1.7579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	111.137	O1	C2	H7	115.792
O1	C3	C5	110.454	O1	C3	H8	115.749
C2	O1	C3	106.333	C2	C4	C5	105.369
C2	C4	C6	127.180	C3	C5	C4	106.707
C3	C5	H9	126.185	C4	C2	H7	133.071
C4	C5	H9	127.107	C4	C6	H10	110.836
C4	C6	H11	111.230	C4	C6	H12	111.230
C5	C3	H8	133.797	C5	C4	C6	127.451
H10	C6	H11	107.867	H10	C6	H12	107.867
H11	C6	H12	107.654

All results from a given calculation for C₅H₆O (3-Methylfuran)

using model chemistry: MP2=FULL/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C5H6O (3-Methylfuran)

using model chemistry: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₅H₆O (3-Methylfuran)