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	hartrees
Energy at 0K	-268.627094
Energy at 298.15K	-268.633631
HF Energy	-267.725577
Nuclear repulsion energy	220.841279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3315	3150	0.57
2	A'	3303	3138	0.70
3	A'	3279	3116	0.97
4	A'	3166	3009	16.46
5	A'	3074	2921	29.25
6	A'	1634	1552	0.63
7	A'	1531	1455	8.81
8	A'	1521	1445	13.16
9	A'	1435	1363	2.38
10	A'	1414	1344	4.07
11	A'	1297	1232	2.95
12	A'	1266	1203	4.33
13	A'	1247	1185	21.90
14	A'	1112	1057	19.13
15	A'	1062	1009	16.19
16	A'	1019	968	2.56
17	A'	986	937	3.28
18	A'	890	845	19.19
19	A'	645	613	2.16
20	A'	313	297	0.76
21	A"	3152	2995	16.57
22	A"	1502	1427	6.66
23	A"	1069	1016	0.44
24	A"	797	758	0.29
25	A"	754	716	74.38
26	A"	693	658	0.31
27	A"	619	589	13.99
28	A"	568	539	1.81
29	A"	255	242	3.76
30	A"	119	113	0.02

Atom	x (Å)	y (Å)	z (Å)
O1	-0.681	-1.469	0.000
C2	-1.077	-0.167	0.000
C3	0.677	-1.460	0.000
C4	0.000	0.681	0.000
C5	1.151	-0.176	0.000
C6	-0.025	2.179	0.000
H7	-2.144	-0.000	0.000
H8	1.152	-2.429	0.000
H9	2.190	0.123	0.000
H10	-1.054	2.550	0.000
H11	0.478	2.581	0.884
H12	0.478	2.581	-0.884

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3604	1.3585	2.2553	2.2426	3.7068	2.0728	2.0696	3.2830	4.0365	4.3046	4.3046
C2	1.3604		2.1792	1.3713	2.2281	2.5717	1.0796	3.1756	3.2800	2.7178	3.2798	3.2798
C3	1.3585	2.1792		2.2454	1.3689	3.7065	3.1764	1.0789	2.1896	4.3680	4.1414	4.1414
C4	2.2553	1.3713	2.2454		1.4345	1.4986	2.2496	3.3162	2.2596	2.1461	2.1497	2.1497
C5	2.2426	2.2281	1.3689	1.4345		2.6323	3.2994	2.2531	1.0811	3.5059	2.9720	2.9720
C6	3.7068	2.5717	3.7065	1.4986	2.6323		3.0395	4.7561	3.0223	1.0935	1.0943	1.0943
H7	2.0728	1.0796	3.1764	2.2496	3.2994	3.0395		4.0942	4.3354	2.7737	3.7845	3.7845
H8	2.0696	3.1756	1.0789	3.3162	2.2531	4.7561	4.0942		2.7547	5.4459	5.1316	5.1316
H9	3.2830	3.2800	2.1896	2.2596	1.0811	3.0223	4.3354	2.7547		4.0512	3.1226	3.1226
H10	4.0365	2.7178	4.3680	2.1461	3.5059	1.0935	2.7737	5.4459	4.0512		1.7697	1.7697
H11	4.3046	3.2798	4.1414	2.1497	2.9720	1.0943	3.7845	5.1316	3.1226	1.7697		1.7687
H12	4.3046	3.2798	4.1414	2.1497	2.9720	1.0943	3.7845	5.1316	3.1226	1.7697	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	111.294	O1	C2	H7	115.833
O1	C3	C5	110.620	O1	C3	H8	115.746
C2	O1	C3	106.545	C2	C4	C5	105.120
C2	C4	C6	127.245	C3	C5	C4	106.421
C3	C5	H9	126.289	C4	C2	H7	132.873
C4	C5	H9	127.290	C4	C6	H10	110.805
C4	C6	H11	111.052	C4	C6	H12	111.052
C5	C3	H8	133.634	C5	C4	C6	127.636
H10	C6	H11	107.980	H10	C6	H12	107.980
H11	C6	H12	107.837

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

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

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: MP2/6-311G**

States and conformations

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