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	hartrees
Energy at 0K	-268.481012
Energy at 298.15K	-268.487525
HF Energy	-267.661015
Nuclear repulsion energy	220.720679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3337	3146	0.63
2	A'	3324	3134	0.55
3	A'	3297	3109	0.98
4	A'	3194	3012	14.39
5	A'	3102	2926	24.94
6	A'	1663	1569	0.59
7	A'	1563	1474	5.22
8	A'	1557	1468	15.28
9	A'	1476	1392	1.31
10	A'	1445	1363	6.00
11	A'	1313	1238	1.31
12	A'	1292	1218	1.04
13	A'	1259	1187	28.17
14	A'	1125	1061	10.21
15	A'	1077	1015	24.36
16	A'	1038	979	1.98
17	A'	998	941	2.81
18	A'	890	839	21.07
19	A'	650	613	2.51
20	A'	320	302	0.82
21	A"	3182	3001	15.59
22	A"	1546	1458	6.23
23	A"	1091	1029	1.27
24	A"	772	728	2.56
25	A"	743	700	69.84
26	A"	677	638	0.04
27	A"	620	585	12.14
28	A"	574	541	0.24
29	A"	259	245	2.58
30	A"	119	112	0.01

Atom	x (Å)	y (Å)	z (Å)
O1	-0.696	-1.468	0.000
C2	-1.080	-0.157	0.000
C3	0.666	-1.462	0.000
C4	0.000	0.682	0.000
C5	1.149	-0.185	0.000
C6	-0.002	2.178	0.000
H7	-2.148	0.018	0.000
H8	1.139	-2.434	0.000
H9	2.190	0.114	0.000
H10	-1.025	2.564	0.000
H11	0.508	2.574	0.884
H12	0.508	2.574	-0.884

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3654	1.3617	2.2591	2.2474	3.7115	2.0772	2.0743	3.2910	4.0454	4.3092	4.3092
C2	1.3654		2.1797	1.3680	2.2299	2.5729	1.0818	3.1797	3.2815	2.7224	3.2814	3.2814
C3	1.3617	2.1797		2.2447	1.3657	3.7012	3.1791	1.0812	2.1928	4.3670	4.1351	4.1351
C4	2.2591	1.3680	2.2447		1.4394	1.4968	2.2481	3.3174	2.2620	2.1437	2.1498	2.1498
C5	2.2474	2.2299	1.3657	1.4394		2.6287	3.3034	2.2491	1.0826	3.5052	2.9674	2.9674
C6	3.7115	2.5729	3.7012	1.4968	2.6287		3.0452	4.7514	3.0105	1.0937	1.0944	1.0944
H7	2.0772	1.0818	3.1791	2.2481	3.3034	3.0452		4.1010	4.3387	2.7830	3.7909	3.7909
H8	2.0743	3.1797	1.0812	3.3174	2.2491	4.7514	4.1010		2.7563	5.4469	5.1247	5.1247
H9	3.2910	3.2815	2.1928	2.2620	1.0826	3.0105	4.3387	2.7563		4.0420	3.1081	3.1081
H10	4.0454	2.7224	4.3670	2.1437	3.5052	1.0937	2.7830	5.4469	4.0420		1.7698	1.7698
H11	4.3092	3.2814	4.1351	2.1498	2.9674	1.0944	3.7909	5.1247	3.1081	1.7698		1.7673
H12	4.3092	3.2814	4.1351	2.1498	2.9674	1.0944	3.7909	5.1247	3.1081	1.7698	1.7673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	111.480	O1	C2	H7	115.682
O1	C3	C5	110.975	O1	C3	H8	115.759
C2	O1	C3	106.119	C2	C4	C5	105.154
C2	C4	C6	127.765	C3	C5	C4	106.273
C3	C5	H9	126.788	C4	C2	H7	132.838
C4	C5	H9	126.939	C4	C6	H10	110.732
C4	C6	H11	111.179	C4	C6	H12	111.179
C5	C3	H8	133.266	C5	C4	C6	127.082
H10	C6	H11	107.959	H10	C6	H12	107.959
H11	C6	H12	107.689

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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