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	hartrees
Energy at 0K	-268.618149
Energy at 298.15K	-268.624718
HF Energy	-267.715368
Nuclear repulsion energy	220.597007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3145	1.86
2	A'	3274	3134	2.29
3	A'	3247	3108	2.16
4	A'	3118	2985	21.58
5	A'	3038	2909	30.94
6	A'	1680	1609	1.05
7	A'	1571	1504	17.18
8	A'	1529	1464	7.41
9	A'	1458	1395	3.98
10	A'	1426	1365	3.42
11	A'	1299	1244	3.08
12	A'	1277	1223	1.78
13	A'	1229	1176	24.60
14	A'	1108	1061	13.94
15	A'	1067	1021	31.48
16	A'	1029	985	2.37
17	A'	982	940	1.64
18	A'	897	859	22.71
19	A'	646	619	2.70
20	A'	316	303	0.90
21	A"	3101	2968	22.22
22	A"	1513	1449	7.66
23	A"	1070	1024	0.55
24	A"	803	769	5.51
25	A"	760	728	67.39
26	A"	715	684	0.87
27	A"	610	584	20.10
28	A"	585	560	3.46
29	A"	258	247	3.69
30	A"	128	123	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	-0.704	-1.463	0.000
C2	-1.078	-0.152	0.000
C3	0.654	-1.467	0.000
C4	0.000	0.682	0.000
C5	1.153	-0.200	0.000
C6	0.008	2.185	0.000
H7	-2.145	0.030	0.000
H8	1.121	-2.443	0.000
H9	2.198	0.088	0.000
H10	-1.013	2.583	0.000
H11	0.523	2.578	0.885
H12	0.523	2.578	-0.885

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3636	1.3581	2.2582	2.2459	3.7174	2.0757	2.0717	3.2906	4.0583	4.3151	4.3151
C2	1.3636		2.1752	1.3634	2.2317	2.5774	1.0826	3.1762	3.2849	2.7361	3.2864	3.2864
C3	1.3581	2.1752		2.2472	1.3621	3.7093	3.1749	1.0821	2.1917	4.3802	4.1430	4.1430
C4	2.2582	1.3634	2.2472		1.4519	1.5028	2.2422	3.3209	2.2768	2.1538	2.1564	2.1564
C5	2.2459	2.2317	1.3621	1.4519		2.6458	3.3063	2.2438	1.0840	3.5266	2.9826	2.9826
C6	3.7174	2.5774	3.7093	1.5028	2.6458		3.0464	4.7607	3.0319	1.0957	1.0968	1.0968
H7	2.0757	1.0826	3.1749	2.2422	3.3063	3.0464		4.0976	4.3436	2.7929	3.7941	3.7941
H8	2.0717	3.1762	1.0821	3.3209	2.2438	4.7607	4.0976		2.7513	5.4610	5.1337	5.1337
H9	3.2906	3.2849	2.1917	2.2768	1.0840	3.0319	4.3436	2.7513		4.0661	3.1281	3.1281
H10	4.0583	2.7361	4.3802	2.1538	3.5266	1.0957	2.7929	5.4610	4.0661		1.7728	1.7728
H11	4.3151	3.2864	4.1430	2.1564	2.9826	1.0968	3.7941	5.1337	3.1281	1.7728		1.7701
H12	4.3151	3.2864	4.1430	2.1564	2.9826	1.0968	3.7941	5.1337	3.1281	1.7728	1.7701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	111.807	O1	C2	H7	115.629
O1	C3	C5	111.310	O1	C3	H8	115.745
C2	O1	C3	106.104	C2	C4	C5	104.836
C2	C4	C6	128.046	C3	C5	C4	105.943
C3	C5	H9	126.907	C4	C2	H7	132.564
C4	C5	H9	127.150	C4	C6	H10	110.993
C4	C6	H11	111.129	C4	C6	H12	111.129
C5	C3	H8	132.945	C5	C4	C6	127.118
H10	C6	H11	107.921	H10	C6	H12	107.921
H11	C6	H12	107.594

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

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

States and conformations

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