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	hartrees
Energy at 0K	-268.648104
Energy at 298.15K
HF Energy	-267.748780
Nuclear repulsion energy	221.265240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3332	3158	0.23
2	A'	3319	3146	0.35
3	A'	3294	3122	0.90
4	A'	3175	3010	16.58
5	A'	3083	2923	30.30
6	A'	1637	1552	0.33
7	A'	1537	1457	11.91
8	A'	1526	1447	11.73
9	A'	1443	1368	1.22
10	A'	1417	1344	4.71
11	A'	1300	1233	2.24
12	A'	1285	1218	1.61
13	A'	1238	1174	26.29
14	A'	1113	1055	18.05
15	A'	1065	1010	23.00
16	A'	1024	971	1.88
17	A'	990	938	2.87
18	A'	894	847	19.05
19	A'	646	612	2.24
20	A'	318	302	0.79
21	A"	3161	2996	14.58
22	A"	1490	1413	7.09
23	A"	1058	1003	0.02
24	A"	705	668	1.67
25	A"	691	655	88.01
26	A"	596	565	0.94
27	A"	583	553	7.40
28	A"	223	211	3.79
29	A"	117	111	0.09
30	A"	367i	347i	0.95

Atom	x (Å)	y (Å)	z (Å)
O1	-0.685	-1.466	0.000
C2	-1.077	-0.160	0.000
C3	0.676	-1.458	0.000
C4	0.000	0.678	0.000
C5	1.146	-0.179	0.000
C6	-0.018	2.173	0.000
H7	-2.140	0.009	0.000
H8	1.149	-2.424	0.000
H9	2.182	0.118	0.000
H10	-1.042	2.547	0.000
H11	0.484	2.572	0.882
H12	0.484	2.572	-0.882

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3637	1.3612	2.2509	2.2378	3.6989	2.0724	2.0693	3.2752	4.0285	4.2954	4.2954
C2	1.3637		2.1817	1.3649	2.2231	2.5615	1.0764	3.1755	3.2713	2.7068	3.2680	3.2680
C3	1.3612	2.1817		2.2406	1.3625	3.6961	3.1758	1.0756	2.1793	4.3576	4.1297	4.1297
C4	2.2509	1.3649	2.2406		1.4308	1.4943	2.2424	3.3082	2.2531	2.1394	2.1445	2.1445
C5	2.2378	2.2231	1.3625	1.4308		2.6236	3.2914	2.2451	1.0780	3.4949	2.9635	2.9635
C6	3.6989	2.5615	3.6961	1.4943	2.6236		3.0303	4.7423	3.0108	1.0901	1.0908	1.0908
H7	2.0724	1.0764	3.1758	2.2424	3.2914	3.0303		4.0917	4.3239	2.7649	3.7729	3.7729
H8	2.0693	3.1755	1.0756	3.3082	2.2451	4.7423	4.0917		2.7432	5.4322	5.1166	5.1166
H9	3.2752	3.2713	2.1793	2.2531	1.0780	3.0108	4.3239	2.7432		4.0369	3.1121	3.1121
H10	4.0285	2.7068	4.3576	2.1394	3.4949	1.0901	2.7649	5.4322	4.0369		1.7630	1.7630
H11	4.2954	3.2680	4.1297	2.1445	2.9635	1.0908	3.7729	5.1166	3.1121	1.7630		1.7637
H12	4.2954	3.2680	4.1297	2.1445	2.9635	1.0908	3.7729	5.1166	3.1121	1.7630	1.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	111.156	O1	C2	H7	115.768
O1	C3	C5	110.493	O1	C3	H8	115.750
C2	O1	C3	106.387	C2	C4	C5	105.321
C2	C4	C6	127.186	C3	C5	C4	106.642
C3	C5	H9	126.105	C4	C2	H7	133.075
C4	C5	H9	127.253	C4	C6	H10	110.775
C4	C6	H11	111.144	C4	C6	H12	111.144
C5	C3	H8	133.757	C5	C4	C6	127.493
H10	C6	H11	107.876	H10	C6	H12	107.876
H11	C6	H12	107.881

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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