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	hartrees
Energy at 0K	-268.729430
Energy at 298.15K	-268.736072
HF Energy	-267.691276
Nuclear repulsion energy	222.008385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3343	3142	0.14
2	A'	3326	3126	0.16
3	A'	3314	3114	0.40
4	A'	3210	3017	9.28
5	A'	3112	2925	21.26
6	A'	1646	1547	0.91
7	A'	1543	1451	3.88
8	A'	1536	1443	15.33
9	A'	1444	1358	1.77
10	A'	1420	1335	5.00
11	A'	1307	1229	2.98
12	A'	1275	1199	10.76
13	A'	1263	1187	14.80
14	A'	1126	1058	14.58
15	A'	1073	1008	14.51
16	A'	1025	964	3.65
17	A'	992	932	3.21
18	A'	894	841	19.07
19	A'	650	611	2.00
20	A'	312	293	0.79
21	A"	3195	3003	9.54
22	A"	1528	1436	5.67
23	A"	1079	1014	1.70
24	A"	817	768	6.81
25	A"	775	729	51.11
26	A"	723	680	0.83
27	A"	636	598	10.02
28	A"	624	587	2.45
29	A"	265	249	2.52
30	A"	130	123	0.01

Atom	x (Å)	y (Å)	z (Å)
O1	-0.690	-1.462	0.000
C2	-1.070	-0.163	0.000
C3	0.661	-1.451	0.000
C4	0.000	0.679	0.000
C5	1.145	-0.181	0.000
C6	-0.008	2.168	0.000
H7	-2.133	0.009	0.000
H8	1.132	-2.419	0.000
H9	2.180	0.116	0.000
H10	-1.027	2.550	0.000
H11	0.500	2.563	0.880
H12	0.500	2.563	-0.880

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3538	1.3502	2.2489	2.2375	3.6932	2.0606	2.0574	3.2748	4.0260	4.2880	4.2880
C2	1.3538		2.1579	1.3614	2.2155	2.5612	1.0763	3.1525	3.2621	2.7129	3.2661	3.2661
C3	1.3502	2.1579		2.2302	1.3596	3.6806	3.1521	1.0758	2.1832	4.3429	4.1128	4.1128
C4	2.2489	1.3614	2.2302		1.4321	1.4892	2.2354	3.2976	2.2513	2.1348	2.1386	2.1386
C5	2.2375	2.2155	1.3596	1.4321		2.6168	3.2834	2.2375	1.0767	3.4899	2.9530	2.9530
C6	3.6932	2.5612	3.6806	1.4892	2.6168		3.0291	4.7260	2.9992	1.0889	1.0897	1.0897
H7	2.0606	1.0763	3.1521	2.2354	3.2834	3.0291		4.0682	4.3140	2.7709	3.7717	3.7717
H8	2.0574	3.1525	1.0758	3.2976	2.2375	4.7260	4.0682		2.7431	5.4175	5.0979	5.0979
H9	3.2748	3.2621	2.1832	2.2513	1.0767	2.9992	4.3140	2.7431		4.0261	3.0955	3.0955
H10	4.0260	2.7129	4.3429	2.1348	3.4899	1.0889	2.7709	5.4175	4.0261		1.7624	1.7624
H11	4.2880	3.2661	4.1128	2.1386	2.9530	1.0897	3.7717	5.0979	3.0955	1.7624		1.7591
H12	4.2880	3.2661	4.1128	2.1386	2.9530	1.0897	3.7717	5.0979	3.0955	1.7624	1.7591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	111.842	O1	C2	H7	115.510
O1	C3	C5	111.320	O1	C3	H8	115.535
C2	O1	C3	105.890	C2	C4	C5	104.925
C2	C4	C6	127.870	C3	C5	C4	106.023
C3	C5	H9	126.922	C4	C2	H7	132.648
C4	C5	H9	127.055	C4	C6	H10	110.845
C4	C6	H11	111.106	C4	C6	H12	111.106
C5	C3	H8	133.145	C5	C4	C6	127.206
H10	C6	H11	107.999	H10	C6	H12	107.999
H11	C6	H12	107.643

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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(2df,p)

States and conformations

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