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	hartrees
Energy at 0K	-268.582677
Energy at 298.15K	-268.589171
HF Energy	-267.714840
Nuclear repulsion energy	220.832378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3147	0.87
2	A'	3298	3134	1.00
3	A'	3274	3111	1.20
4	A'	3169	3011	16.56
5	A'	3077	2924	28.54
6	A'	1639	1557	1.10
7	A'	1539	1462	3.23
8	A'	1533	1457	19.46
9	A'	1454	1382	3.58
10	A'	1418	1347	5.00
11	A'	1302	1237	1.72
12	A'	1273	1210	2.60
13	A'	1249	1187	25.51
14	A'	1115	1060	18.73
15	A'	1068	1015	19.84
16	A'	1023	973	2.90
17	A'	988	939	3.30
18	A'	892	847	20.09
19	A'	647	614	2.29
20	A'	315	299	0.88
21	A"	3155	2998	16.49
22	A"	1521	1445	8.70
23	A"	1068	1015	0.73
24	A"	763	725	0.26
25	A"	739	702	84.55
26	A"	671	638	0.00
27	A"	620	590	16.37
28	A"	565	537	1.09
29	A"	255	243	4.12
30	A"	117	111	0.01

Atom	x (Å)	y (Å)	z (Å)
O1	-0.694	-1.468	0.000
C2	-1.077	-0.163	0.000
C3	0.662	-1.461	0.000
C4	0.000	0.683	0.000
C5	1.151	-0.184	0.000
C6	-0.005	2.181	0.000
H7	-2.144	0.009	0.000
H8	1.134	-2.433	0.000
H9	2.192	0.112	0.000
H10	-1.027	2.568	0.000
H11	0.505	2.577	0.883
H12	0.505	2.577	-0.883

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3606	1.3563	2.2608	2.2484	3.7143	2.0705	2.0673	3.2908	4.0505	4.3106	4.3106
C2	1.3606		2.1705	1.3695	2.2285	2.5777	1.0810	3.1693	3.2806	2.7316	3.2843	3.2843
C3	1.3563	2.1705		2.2445	1.3677	3.7034	3.1684	1.0805	2.1949	4.3695	4.1366	4.1366
C4	2.2608	1.3695	2.2445		1.4416	1.4983	2.2476	3.3164	2.2651	2.1468	2.1494	2.1494
C5	2.2484	2.2285	1.3677	1.4416		2.6333	3.3013	2.2491	1.0821	3.5103	2.9700	2.9700
C6	3.7143	2.5777	3.7034	1.4983	2.6333		3.0485	4.7533	3.0180	1.0927	1.0934	1.0934
H7	2.0705	1.0810	3.1684	2.2476	3.3013	3.0485		4.0884	4.3375	2.7921	3.7931	3.7931
H8	2.0673	3.1693	1.0805	3.3164	2.2491	4.7533	4.0884		2.7567	5.4486	5.1261	5.1261
H9	3.2908	3.2806	2.1949	2.2651	1.0821	3.0180	4.3375	2.7567		4.0489	3.1144	3.1144
H10	4.0505	2.7316	4.3695	2.1468	3.5103	1.0927	2.7921	5.4486	4.0489		1.7679	1.7679
H11	4.3106	3.2843	4.1366	2.1494	2.9700	1.0934	3.7931	5.1261	3.1144	1.7679		1.7655
H12	4.3106	3.2843	4.1366	2.1494	2.9700	1.0934	3.7931	5.1261	3.1144	1.7679	1.7655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	111.806	O1	C2	H7	115.512
O1	C3	C5	111.260	O1	C3	H8	115.613
C2	O1	C3	106.045	C2	C4	C5	104.858
C2	C4	C6	127.954	C3	C5	C4	106.031
C3	C5	H9	126.878	C4	C2	H7	132.682
C4	C5	H9	127.091	C4	C6	H10	110.933
C4	C6	H11	111.103	C4	C6	H12	111.103
C5	C3	H8	133.127	C5	C4	C6	127.188
H10	C6	H11	107.940	H10	C6	H12	107.940
H11	C6	H12	107.674

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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