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	hartrees
Energy at 0K	-268.537104
Energy at 298.15K	-268.543702
HF Energy	-267.681778
Nuclear repulsion energy	219.798342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3326	3168	0.40
2	A'	3313	3156	0.49
3	A'	3290	3134	0.74
4	A'	3184	3033	14.01
5	A'	3081	2935	30.89
6	A'	1641	1563	0.41
7	A'	1539	1466	13.65
8	A'	1498	1427	8.41
9	A'	1426	1359	4.31
10	A'	1409	1343	1.36
11	A'	1296	1235	3.72
12	A'	1258	1199	1.68
13	A'	1246	1186	24.02
14	A'	1109	1056	17.05
15	A'	1057	1007	13.75
16	A'	1010	962	3.99
17	A'	982	936	3.17
18	A'	885	843	19.20
19	A'	645	614	2.06
20	A'	313	298	0.78
21	A"	3169	3019	14.40
22	A"	1481	1410	5.90
23	A"	1058	1008	1.19
24	A"	823	784	0.26
25	A"	772	735	61.46
26	A"	715	681	2.33
27	A"	626	596	12.12
28	A"	606	578	3.00
29	A"	263	250	3.33
30	A"	124	118	0.05

Atom	x (Å)	y (Å)	z (Å)
O1	-0.682	-1.477	0.000
C2	-1.081	-0.172	0.000
C3	0.682	-1.465	0.000
C4	0.000	0.686	0.000
C5	1.157	-0.172	0.000
C6	-0.032	2.187	0.000
H7	-2.156	-0.004	0.000
H8	1.165	-2.439	0.000
H9	2.205	0.128	0.000
H10	-1.069	2.559	0.000
H11	0.475	2.597	0.890
H12	0.475	2.597	-0.890

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3648	1.3633	2.2678	2.2546	3.7214	2.0844	2.0823	3.3028	4.0549	4.3275	4.3275
C2	1.3648		2.1857	1.3798	2.2377	2.5819	1.0885	3.1914	3.2993	2.7313	3.2983	3.2983
C3	1.3633	2.1857		2.2559	1.3772	3.7207	3.1917	1.0880	2.2039	4.3881	4.1630	4.1630
C4	2.2678	1.3798	2.2559		1.4402	1.5016	2.2640	3.3353	2.2743	2.1568	2.1610	2.1610
C5	2.2546	2.2377	1.3772	1.4402		2.6415	3.3174	2.2673	1.0901	3.5231	2.9872	2.9872
C6	3.7214	2.5819	3.7207	1.5016	2.6415		3.0521	4.7786	3.0398	1.1018	1.1029	1.1029
H7	2.0844	1.0885	3.1917	2.2640	3.3174	3.0521		4.1185	4.3631	2.7846	3.8053	3.8053
H8	2.0823	3.1914	1.0880	3.3353	2.2673	4.7786	4.1185		2.7700	5.4750	5.1606	5.1606
H9	3.3028	3.2993	2.2039	2.2743	1.0901	3.0398	4.3631	2.7700		4.0774	3.1430	3.1430
H10	4.0549	2.7313	4.3881	2.1568	3.5231	1.1018	2.7846	5.4750	4.0774		1.7821	1.7821
H11	4.3275	3.2983	4.1630	2.1610	2.9872	1.1029	3.8053	5.1606	3.1430	1.7821		1.7798
H12	4.3275	3.2983	4.1630	2.1610	2.9872	1.1029	3.8053	5.1606	3.1430	1.7821	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	111.431	O1	C2	H7	115.883
O1	C3	C5	110.711	O1	C3	H8	115.859
C2	O1	C3	106.483	C2	C4	C5	105.005
C2	C4	C6	127.235	C3	C5	C4	106.371
C3	C5	H9	126.172	C4	C2	H7	132.686
C4	C5	H9	127.458	C4	C6	H10	110.947
C4	C6	H11	111.213	C4	C6	H12	111.213
C5	C3	H8	133.430	C5	C4	C6	127.760
H10	C6	H11	107.864	H10	C6	H12	107.864
H11	C6	H12	107.578

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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