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	hartrees
Energy at 0K	-268.558357
Energy at 298.15K	-268.564997
HF Energy	-267.673151
Nuclear repulsion energy	221.058018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3363	3153	1.96
2	A'	3351	3142	2.27
3	A'	3327	3119	1.73
4	A'	3205	3005	20.14
5	A'	3115	2921	29.62
6	A'	1717	1610	0.17
7	A'	1607	1506	19.30
8	A'	1564	1467	4.66
9	A'	1482	1390	0.95
10	A'	1461	1370	3.90
11	A'	1323	1240	4.87
12	A'	1310	1228	1.44
13	A'	1272	1192	29.51
14	A'	1132	1061	8.39
15	A'	1087	1019	33.21
16	A'	1046	981	1.76
17	A'	997	935	1.38
18	A'	902	846	22.31
19	A'	653	613	2.79
20	A'	321	301	0.79
21	A"	3188	2989	22.29
22	A"	1545	1449	4.24
23	A"	1096	1027	0.55
24	A"	832	781	0.59
25	A"	783	734	54.68
26	A"	737	691	1.69
27	A"	616	577	16.13
28	A"	594	557	1.48
29	A"	262	246	2.06
30	A"	128	120	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	-0.699	-1.461	0.000
C2	-1.078	-0.149	0.000
C3	0.665	-1.463	0.000
C4	0.000	0.678	0.000
C5	1.148	-0.196	0.000
C6	0.001	2.177	0.000
H7	-2.139	0.033	0.000
H8	1.132	-2.432	0.000
H9	2.185	0.094	0.000
H10	-1.017	2.565	0.000
H11	0.510	2.571	0.881
H12	0.510	2.571	-0.881

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3662	1.3634	2.2506	2.2384	3.7051	2.0752	2.0724	3.2764	4.0388	4.3007	4.3007
C2	1.3662		2.1832	1.3589	2.2264	2.5642	1.0758	3.1778	3.2725	2.7145	3.2704	3.2704
C3	1.3634	2.1832		2.2425	1.3567	3.7008	3.1778	1.0752	2.1764	4.3656	4.1325	4.1325
C4	2.2506	1.3589	2.2425		1.4425	1.4990	2.2338	3.3097	2.2620	2.1437	2.1491	2.1491
C5	2.2384	2.2264	1.3567	1.4425		2.6356	3.2942	2.2360	1.0772	3.5084	2.9727	2.9727
C6	3.7051	2.5642	3.7008	1.4990	2.6356		3.0289	4.7458	3.0188	1.0896	1.0908	1.0908
H7	2.0752	1.0758	3.1778	2.2338	3.2942	3.0289		4.0957	4.3242	2.7690	3.7725	3.7725
H8	2.0724	3.1778	1.0752	3.3097	2.2360	4.7458	4.0957		2.7360	5.4396	5.1177	5.1177
H9	3.2764	3.2725	2.1764	2.2620	1.0772	3.0188	4.3242	2.7360		4.0453	3.1176	3.1176
H10	4.0388	2.7145	4.3656	2.1437	3.5084	1.0896	2.7690	5.4396	4.0453		1.7631	1.7631
H11	4.3007	3.2704	4.1325	2.1491	2.9727	1.0908	3.7725	5.1177	3.1176	1.7631		1.7611
H12	4.3007	3.2704	4.1325	2.1491	2.9727	1.0908	3.7725	5.1177	3.1176	1.7631	1.7611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	111.358	O1	C2	H7	115.863
O1	C3	C5	110.755	O1	C3	H8	115.880
C2	O1	C3	106.227	C2	C4	C5	105.222
C2	C4	C6	127.517	C3	C5	C4	106.438
C3	C5	H9	126.435	C4	C2	H7	132.780
C4	C5	H9	127.127	C4	C6	H10	110.817
C4	C6	H11	111.180	C4	C6	H12	111.180
C5	C3	H8	133.365	C5	C4	C6	127.261
H10	C6	H11	107.926	H10	C6	H12	107.926
H11	C6	H12	107.661

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

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