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	hartrees
Energy at 0K	-268.544027
Energy at 298.15K	-268.550481
HF Energy	-267.679149
Nuclear repulsion energy	220.593244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3362	3162	0.29
2	A'	3349	3150	0.34
3	A'	3321	3124	1.23
4	A'	3213	3022	16.52
5	A'	3115	2930	32.48
6	A'	1651	1553	0.19
7	A'	1547	1455	3.23
8	A'	1544	1452	22.95
9	A'	1460	1373	1.60
10	A'	1437	1352	3.82
11	A'	1305	1228	1.68
12	A'	1285	1209	1.24
13	A'	1245	1171	27.13
14	A'	1113	1046	12.13
15	A'	1067	1004	29.70
16	A'	1031	970	0.70
17	A'	993	934	3.47
18	A'	885	833	19.75
19	A'	647	609	2.32
20	A'	319	300	0.75
21	A"	3200	3010	13.43
22	A"	1521	1431	6.69
23	A"	1075	1011	0.09
24	A"	782	736	0.81
25	A"	739	695	102.50
26	A"	672	632	0.25
27	A"	604	568	11.20
28	A"	540	508	0.92
29	A"	239	225	3.85
30	A"	112	105	0.07

Atom	x (Å)	y (Å)	z (Å)
O1	-0.687	-1.471	0.000
C2	-1.083	-0.159	0.000
C3	0.680	-1.463	0.000
C4	0.000	0.681	0.000
C5	1.148	-0.177	0.000
C6	-0.017	2.178	0.000
H7	-2.147	0.008	0.000
H8	1.153	-2.429	0.000
H9	2.184	0.121	0.000
H10	-1.040	2.553	0.000
H11	0.487	2.576	0.881
H12	0.487	2.576	-0.881

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3703	1.3677	2.2590	2.2453	3.7099	2.0777	2.0753	3.2832	4.0388	4.3049	4.3049
C2	1.3703		2.1934	1.3707	2.2311	2.5688	1.0767	3.1871	3.2795	2.7118	3.2745	3.2745
C3	1.3677	2.1934		2.2495	1.3682	3.7071	3.1871	1.0759	2.1841	4.3686	4.1385	4.1385
C4	2.2590	1.3707	2.2495		1.4332	1.4969	2.2499	3.3175	2.2552	2.1410	2.1459	2.1459
C5	2.2453	2.2311	1.3682	1.4332		2.6271	3.2999	2.2523	1.0785	3.4982	2.9652	2.9652
C6	3.7099	2.5688	3.7071	1.4969	2.6271		3.0410	4.7536	3.0127	1.0898	1.0905	1.0905
H7	2.0777	1.0767	3.1871	2.2499	3.2999	3.0410		4.1027	4.3328	2.7750	3.7829	3.7829
H8	2.0753	3.1871	1.0759	3.3175	2.2523	4.7536	4.1027		2.7507	5.4434	5.1258	5.1258
H9	3.2832	3.2795	2.1841	2.2552	1.0785	3.0127	4.3328	2.7507		4.0386	3.1121	3.1121
H10	4.0388	2.7118	4.3686	2.1410	3.4982	1.0898	2.7750	5.4434	4.0386		1.7635	1.7635
H11	4.3049	3.2745	4.1385	2.1459	2.9652	1.0905	3.7829	5.1258	3.1121	1.7635		1.7629
H12	4.3049	3.2745	4.1385	2.1459	2.9652	1.0905	3.7829	5.1258	3.1121	1.7635	1.7629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	111.003	O1	C2	H7	115.707
O1	C3	C5	110.298	O1	C3	H8	115.752
C2	O1	C3	106.468	C2	C4	C5	105.421
C2	C4	C6	127.163	C3	C5	C4	106.810
C3	C5	H9	126.002	C4	C2	H7	133.290
C4	C5	H9	127.188	C4	C6	H10	110.737
C4	C6	H11	111.090	C4	C6	H12	111.090
C5	C3	H8	133.950	C5	C4	C6	127.416
H10	C6	H11	107.963	H10	C6	H12	107.963
H11	C6	H12	107.861

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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