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	hartrees
Energy at 0K	-268.149425
Energy at 298.15K	-268.155901
HF Energy	-267.542589
Nuclear repulsion energy	217.277947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	3159	1.31
2	A'	3277	3145	1.63
3	A'	3231	3100	2.75
4	A'	3091	2966	22.83
5	A'	3016	2894	29.54
6	A'	1661	1593	0.19
7	A'	1558	1495	8.38
8	A'	1539	1477	10.68
9	A'	1483	1423	1.83
10	A'	1408	1351	6.97
11	A'	1285	1233	0.11
12	A'	1262	1211	1.40
13	A'	1188	1140	31.42
14	A'	1086	1042	7.86
15	A'	1046	1004	5.96
16	A'	1008	967	25.04
17	A'	977	938	0.81
18	A'	876	841	33.30
19	A'	637	612	3.22
20	A'	328	315	0.85
21	A"	3079	2954	25.84
22	A"	1538	1476	6.47
23	A"	1103	1058	1.34
24	A"	785	754	3.18
25	A"	729	700	67.81
26	A"	696	668	0.01
27	A"	582	558	26.75
28	A"	575	552	1.96
29	A"	252	241	1.59
30	A"	117	113	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	-0.734	-1.478	0.000
C2	-1.112	-0.118	0.000
C3	0.676	-1.496	0.000
C4	0.000	0.687	0.000
C5	1.158	-0.213	0.000
C6	0.040	2.200	0.000
H7	-2.179	0.073	0.000
H8	1.133	-2.478	0.000
H9	2.204	0.083	0.000
H10	-0.981	2.615	0.000
H11	0.562	2.587	0.891
H12	0.562	2.587	-0.891

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.4118	1.4103	2.2860	2.2755	3.7589	2.1200	2.1178	3.3274	4.1011	4.3589	4.3589
C2	1.4118		2.2575	1.3723	2.2713	2.5884	1.0843	3.2573	3.3220	2.7365	3.3034	3.3034
C3	1.4103	2.2575		2.2851	1.3701	3.7506	3.2580	1.0833	2.1976	4.4331	4.1808	4.1808
C4	2.2860	1.3723	2.2851		1.4662	1.5140	2.2639	3.3617	2.2853	2.1641	2.1729	2.1729
C5	2.2755	2.2713	1.3701	1.4662		2.6597	3.3489	2.2653	1.0879	3.5463	2.9984	2.9984
C6	3.7589	2.5884	3.7506	1.5140	2.6597		3.0739	4.8046	3.0274	1.1024	1.1032	1.1032
H7	2.1200	1.0843	3.2580	2.2639	3.3489	3.0739		4.1807	4.3833	2.8105	3.8248	3.8248
H8	2.1178	3.2573	1.0833	3.3617	2.2653	4.8046	4.1807		2.7768	5.5152	5.1748	5.1748
H9	3.3274	3.3220	2.1976	2.2853	1.0879	3.0274	4.3833	2.7768		4.0693	3.1239	3.1239
H10	4.1011	2.7365	4.4331	2.1641	3.5463	1.1024	2.8105	5.5152	4.0693		1.7827	1.7827
H11	4.3589	3.3034	4.1808	2.1729	2.9984	1.1032	3.8248	5.1748	3.1239	1.7827		1.7829
H12	4.3589	3.3034	4.1808	2.1729	2.9984	1.1032	3.8248	5.1748	3.1239	1.7827	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.376	O1	C2	H7	115.657
O1	C3	C5	109.841	O1	C3	H8	115.652
C2	O1	C3	106.244	C2	C4	C5	106.241
C2	C4	C6	127.405	C3	C5	C4	107.298
C3	C5	H9	126.389	C4	C2	H7	133.967
C4	C5	H9	126.312	C4	C6	H10	110.618
C4	C6	H11	111.279	C4	C6	H12	111.279
C5	C3	H8	134.507	C5	C4	C6	126.355
H10	C6	H11	107.848	H10	C6	H12	107.848
H11	C6	H12	107.816

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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