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	hartrees
Energy at 0K	-266.673551
Energy at 298.15K	-266.680318
HF Energy	-266.171308
Nuclear repulsion energy	219.324201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3394	3158	0.76
2	A'	3380	3145	0.41
3	A'	3342	3110	1.04
4	A'	3194	2972	15.62
5	A'	3128	2911	20.95
6	A'	1701	1583	1.45
7	A'	1618	1506	7.30
8	A'	1580	1470	12.26
9	A'	1530	1424	2.12
10	A'	1438	1338	8.57
11	A'	1326	1234	0.17
12	A'	1296	1206	1.41
13	A'	1222	1137	18.58
14	A'	1114	1037	6.58
15	A'	1086	1010	4.47
16	A'	1061	987	24.26
17	A'	1002	933	1.35
18	A'	913	849	37.12
19	A'	649	604	3.16
20	A'	334	311	0.94
21	A"	3184	2962	18.45
22	A"	1610	1498	6.64
23	A"	1153	1073	3.82
24	A"	920	856	2.17
25	A"	840	781	45.52
26	A"	800	744	23.91
27	A"	642	598	0.66
28	A"	625	582	34.14
29	A"	269	250	3.02
30	A"	128	119	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	-0.736	-1.462	0.000
C2	-1.100	-0.110	0.000
C3	0.659	-1.485	0.000
C4	0.000	0.679	0.000
C5	1.146	-0.223	0.000
C6	0.052	2.185	0.000
H7	-2.152	0.095	0.000
H8	1.115	-2.455	0.000
H9	2.182	0.066	0.000
H10	-0.956	2.604	0.000
H11	0.575	2.555	0.885
H12	0.575	2.555	-0.885

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3997	1.3955	2.2635	2.2533	3.7315	2.1049	2.1004	3.2935	4.0712	4.3168	4.3168
C2	1.3997		2.2330	1.3538	2.2493	2.5689	1.0722	3.2255	3.2865	2.7177	3.2699	3.2699
C3	1.3955	2.2330		2.2621	1.3528	3.7205	3.2255	1.0714	2.1735	4.3961	4.1367	4.1367
C4	2.2635	1.3538	2.2621		1.4585	1.5077	2.2302	3.3261	2.2659	2.1490	2.1526	2.1526
C5	2.2533	2.2493	1.3528	1.4585		2.6453	3.3141	2.2322	1.0749	3.5224	2.9710	2.9710
C6	3.7315	2.5689	3.7205	1.5077	2.6453		3.0383	4.7605	3.0040	1.0913	1.0919	1.0919
H7	2.1049	1.0722	3.2255	2.2302	3.3141	3.0383		4.1447	4.3342	2.7793	3.7778	3.7778
H8	2.1004	3.2255	1.0714	3.3261	2.2322	4.7605	4.1447		2.7377	5.4658	5.1160	5.1160
H9	3.2935	3.2865	2.1735	2.2659	1.0749	3.0040	4.3342	2.7377		4.0348	3.0916	3.0916
H10	4.0712	2.7177	4.3961	2.1490	3.5224	1.0913	2.7793	5.4658	4.0348		1.7685	1.7685
H11	4.3168	3.2699	4.1367	2.1526	2.9710	1.0919	3.7778	5.1160	3.0916	1.7685		1.7697
H12	4.3168	3.2699	4.1367	2.1526	2.9710	1.0919	3.7778	5.1160	3.0916	1.7685	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.563	O1	C2	H7	116.130
O1	C3	C5	110.137	O1	C3	H8	116.111
C2	O1	C3	106.044	C2	C4	C5	106.164
C2	C4	C6	127.642	C3	C5	C4	107.092
C3	C5	H9	126.713	C4	C2	H7	133.306
C4	C5	H9	126.196	C4	C6	H10	110.529
C4	C6	H11	110.780	C4	C6	H12	110.780
C5	C3	H8	133.752	C5	C4	C6	126.194
H10	C6	H11	108.196	H10	C6	H12	108.196
H11	C6	H12	108.263

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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