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	hartrees
Energy at 0K	-268.505592
Energy at 298.15K	-268.512193
HF Energy	-267.662237
Nuclear repulsion energy	220.956645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3343	3137	1.24
2	A'	3331	3126	1.30
3	A'	3303	3101	1.38
4	A'	3184	2988	16.96
5	A'	3100	2910	25.25
6	A'	1716	1611	0.53
7	A'	1604	1506	18.36
8	A'	1562	1466	6.64
9	A'	1483	1392	2.88
10	A'	1459	1369	3.93
11	A'	1324	1243	3.97
12	A'	1308	1227	1.05
13	A'	1270	1192	28.74
14	A'	1133	1063	10.13
15	A'	1089	1022	34.84
16	A'	1046	982	2.80
17	A'	999	937	1.48
18	A'	906	850	23.51
19	A'	656	616	2.81
20	A'	323	303	0.91
21	A"	3168	2973	18.34
22	A"	1543	1448	6.30
23	A"	1093	1026	1.18
24	A"	805	756	1.70
25	A"	767	720	62.58
26	A"	720	676	0.32
27	A"	616	579	18.46
28	A"	589	553	0.82
29	A"	262	246	2.41
30	A"	128	120	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	-0.698	-1.460	0.000
C2	-1.079	-0.148	0.000
C3	0.664	-1.464	0.000
C4	0.000	0.678	0.000
C5	1.148	-0.196	0.000
C6	0.001	2.177	0.000
H7	-2.144	0.031	0.000
H8	1.131	-2.437	0.000
H9	2.189	0.095	0.000
H10	-1.021	2.566	0.000
H11	0.513	2.573	0.884
H12	0.513	2.573	-0.884

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3661	1.3626	2.2497	2.2375	3.7043	2.0769	2.0737	3.2801	4.0394	4.3030	4.3030
C2	1.3661		2.1837	1.3589	2.2269	2.5640	1.0800	3.1813	3.2771	2.7150	3.2739	3.2739
C3	1.3626	2.1837		2.2427	1.3567	3.7010	3.1811	1.0793	2.1810	4.3682	4.1352	4.1352
C4	2.2497	1.3589	2.2427		1.4428	1.4991	2.2392	3.3142	2.2656	2.1464	2.1527	2.1527
C5	2.2375	2.2269	1.3567	1.4428		2.6359	3.2992	2.2410	1.0816	3.5120	2.9753	2.9753
C6	3.7043	2.5640	3.7010	1.4991	2.6359		3.0342	4.7507	3.0204	1.0938	1.0950	1.0950
H7	2.0769	1.0800	3.1811	2.2392	3.2992	3.0342		4.1006	4.3334	2.7724	3.7812	3.7812
H8	2.0737	3.1813	1.0793	3.3142	2.2410	4.7507	4.1006		2.7447	5.4464	5.1249	5.1249
H9	3.2801	3.2771	2.1810	2.2656	1.0816	3.0204	4.3334	2.7447		4.0512	3.1195	3.1195
H10	4.0394	2.7150	4.3682	2.1464	3.5120	1.0938	2.7724	5.4464	4.0512		1.7701	1.7701
H11	4.3030	3.2739	4.1352	2.1527	2.9753	1.0950	3.7812	5.1249	3.1195	1.7701		1.7673
H12	4.3030	3.2739	4.1352	2.1527	2.9753	1.0950	3.7812	5.1249	3.1195	1.7701	1.7673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	111.293	O1	C2	H7	115.727
O1	C3	C5	110.729	O1	C3	H8	115.761
C2	O1	C3	106.310	C2	C4	C5	105.241
C2	C4	C6	127.501	C3	C5	C4	106.427
C3	C5	H9	126.507	C4	C2	H7	132.980
C4	C5	H9	127.067	C4	C6	H10	110.781
C4	C6	H11	111.208	C4	C6	H12	111.208
C5	C3	H8	133.510	C5	C4	C6	127.258
H10	C6	H11	107.943	H10	C6	H12	107.943
H11	C6	H12	107.606

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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