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	hartrees
Energy at 0K	-268.598875
Energy at 298.15K	-268.605467
HF Energy	-267.680761
Nuclear repulsion energy	221.156009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3385	3153	0.66
2	A'	3372	3142	0.92
3	A'	3344	3115	1.60
4	A'	3217	2997	19.98
5	A'	3128	2914	32.14
6	A'	1709	1592	0.15
7	A'	1597	1488	23.02
8	A'	1557	1451	7.11
9	A'	1480	1379	2.32
10	A'	1458	1359	2.80
11	A'	1323	1232	4.14
12	A'	1310	1220	1.38
13	A'	1264	1178	27.42
14	A'	1127	1050	10.74
15	A'	1086	1012	39.91
16	A'	1046	974	1.62
17	A'	999	931	1.90
18	A'	905	843	21.96
19	A'	655	610	2.59
20	A'	323	301	0.81
21	A"	3201	2982	16.87
22	A"	1533	1428	6.19
23	A"	1087	1012	0.09
24	A"	826	769	1.66
25	A"	771	719	88.68
26	A"	725	675	0.43
27	A"	608	566	16.56
28	A"	569	530	2.79
29	A"	249	232	3.54
30	A"	124	115	0.04

Atom	x (Å)	y (Å)	z (Å)
O1	-0.701	-1.459	0.000
C2	-1.080	-0.149	0.000
C3	0.658	-1.466	0.000
C4	0.000	0.680	0.000
C5	1.149	-0.198	0.000
C6	0.007	2.178	0.000
H7	-2.138	0.036	0.000
H8	1.126	-2.433	0.000
H9	2.186	0.090	0.000
H10	-1.008	2.568	0.000
H11	0.518	2.567	0.880
H12	0.518	2.567	-0.880

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3641	1.3588	2.2515	2.2392	3.7055	2.0740	2.0701	3.2758	4.0391	4.2976	4.2976
C2	1.3641		2.1804	1.3613	2.2294	2.5681	1.0745	3.1750	3.2740	2.7179	3.2713	3.2713
C3	1.3588	2.1804		2.2451	1.3602	3.7018	3.1739	1.0739	2.1805	4.3648	4.1304	4.1304
C4	2.2515	1.3613	2.2451		1.4464	1.4977	2.2330	3.3104	2.2641	2.1402	2.1451	2.1451
C5	2.2392	2.2294	1.3602	1.4464		2.6360	3.2956	2.2348	1.0755	3.5079	2.9694	2.9694
C6	3.7055	2.5681	3.7018	1.4977	2.6360		3.0316	4.7444	3.0177	1.0879	1.0890	1.0890
H7	2.0740	1.0745	3.1739	2.2330	3.2956	3.0316		4.0925	4.3240	2.7728	3.7727	3.7727
H8	2.0701	3.1750	1.0739	3.3104	2.2348	4.7444	4.0925		2.7357	5.4372	5.1127	5.1127
H9	3.2758	3.2740	2.1805	2.2641	1.0755	3.0177	4.3240	2.7357		4.0428	3.1134	3.1134
H10	4.0391	2.7179	4.3648	2.1402	3.5079	1.0879	2.7728	5.4372	4.0428		1.7614	1.7614
H11	4.2976	3.2713	4.1304	2.1451	2.9694	1.0890	3.7727	5.1127	3.1134	1.7614		1.7596
H12	4.2976	3.2713	4.1304	2.1451	2.9694	1.0890	3.7727	5.1127	3.1134	1.7614	1.7596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	111.404	O1	C2	H7	116.026
O1	C3	C5	110.885	O1	C3	H8	116.144
C2	O1	C3	106.412	C2	C4	C5	105.090
C2	C4	C6	127.803	C3	C5	C4	106.209
C3	C5	H9	126.679	C4	C2	H7	132.569
C4	C5	H9	127.112	C4	C6	H10	110.739
C4	C6	H11	111.069	C4	C6	H12	111.069
C5	C3	H8	132.971	C5	C4	C6	127.107
H10	C6	H11	108.026	H10	C6	H12	108.026
H11	C6	H12	107.779

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31+G**

States and conformations

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