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	hartrees
Energy at 0K	-268.740328
Energy at 298.15K	-268.746883
HF Energy	-267.725842
Nuclear repulsion energy	221.051068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3321	3150	0.53
2	A'	3309	3139	0.66
3	A'	3285	3116	0.93
4	A'	3173	3010	16.13
5	A'	3080	2922	28.97
6	A'	1638	1554	0.64
7	A'	1534	1455	10.43
8	A'	1521	1443	11.70
9	A'	1436	1362	3.13
10	A'	1417	1344	3.46
11	A'	1300	1233	2.98
12	A'	1267	1202	5.12
13	A'	1251	1187	20.92
14	A'	1115	1057	19.46
15	A'	1064	1010	15.85
16	A'	1020	967	2.78
17	A'	988	937	3.22
18	A'	891	846	19.22
19	A'	647	613	2.13
20	A'	313	297	0.76
21	A"	3159	2996	16.21
22	A"	1501	1424	6.80
23	A"	1070	1015	0.50
24	A"	803	762	0.24
25	A"	758	719	73.79
26	A"	699	663	0.52
27	A"	622	590	14.14
28	A"	573	543	2.04
29	A"	257	243	3.78
30	A"	119	113	0.02

Atom	x (Å)	y (Å)	z (Å)
O1	-0.692	-1.467	0.000
C2	-1.076	-0.163	0.000
C3	0.663	-1.459	0.000
C4	0.000	0.682	0.000
C5	1.151	-0.183	0.000
C6	-0.008	2.179	0.000
H7	-2.142	0.011	0.000
H8	1.136	-2.429	0.000
H9	2.190	0.115	0.000
H10	-1.031	2.562	0.000
H11	0.502	2.573	0.884
H12	0.502	2.573	-0.884

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3592	1.3551	2.2577	2.2462	3.7094	2.0701	2.0664	3.2875	4.0432	4.3048	4.3048
C2	1.3592		2.1689	1.3682	2.2269	2.5739	1.0798	3.1672	3.2775	2.7253	3.2800	3.2800
C3	1.3551	2.1689		2.2417	1.3665	3.6993	3.1666	1.0793	2.1931	4.3637	4.1317	4.1317
C4	2.2577	1.3682	2.2417		1.4397	1.4967	2.2442	3.3124	2.2620	2.1442	2.1471	2.1471
C5	2.2462	2.2269	1.3665	1.4397		2.6304	3.2982	2.2463	1.0807	3.5066	2.9665	2.9665
C6	3.7094	2.5739	3.6993	1.4967	2.6304		3.0418	4.7478	3.0145	1.0931	1.0939	1.0939
H7	2.0701	1.0798	3.1666	2.2442	3.2982	3.0418		4.0867	4.3326	2.7820	3.7860	3.7860
H8	2.0664	3.1672	1.0793	3.3124	2.2463	4.7478	4.0867		2.7535	5.4416	5.1196	5.1196
H9	3.2875	3.2775	2.1931	2.2620	1.0807	3.0145	4.3326	2.7535		4.0451	3.1105	3.1105
H10	4.0432	2.7253	4.3637	2.1442	3.5066	1.0931	2.7820	5.4416	4.0451		1.7696	1.7696
H11	4.3048	3.2800	4.1317	2.1471	2.9665	1.0939	3.7860	5.1196	3.1105	1.7696		1.7680
H12	4.3048	3.2800	4.1317	2.1471	2.9665	1.0939	3.7860	5.1196	3.1105	1.7696	1.7680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	111.746	O1	C2	H7	115.680
O1	C3	C5	111.241	O1	C3	H8	115.711
C2	O1	C3	106.081	C2	C4	C5	104.925
C2	C4	C6	127.857	C3	C5	C4	106.008
C3	C5	H9	126.920	C4	C2	H7	132.575
C4	C5	H9	127.073	C4	C6	H10	110.815
C4	C6	H11	111.006	C4	C6	H12	111.006
C5	C3	H8	133.049	C5	C4	C6	127.218
H10	C6	H11	108.026	H10	C6	H12	108.026
H11	C6	H12	107.830

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

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

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