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	hartrees
Energy at 0K	-270.198560
Energy at 298.15K	-270.207530
Nuclear repulsion energy	236.570552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3188	3136	4.87
2	A	3092	3041	12.20
3	A	3051	3001	37.69
4	A	3041	2991	13.17
5	A	3004	2954	41.26
6	A	2984	2935	24.45
7	A	2971	2922	47.07
8	A	2943	2895	54.89
9	A	1696	1668	48.24
10	A	1496	1471	0.14
11	A	1475	1450	0.35
12	A	1470	1446	4.95
13	A	1452	1428	8.09
14	A	1394	1371	18.69
15	A	1372	1350	7.38
16	A	1292	1271	11.80
17	A	1238	1218	43.16
18	A	1225	1205	9.83
19	A	1183	1163	23.70
20	A	1176	1156	11.06
21	A	1057	1040	1.11
22	A	1036	1018	3.99
23	A	1010	993	17.58
24	A	1005	988	27.94
25	A	962	946	22.96
26	A	924	909	11.82
27	A	894	880	19.18
28	A	837	823	3.90
29	A	694	682	20.22
30	A	676	664	4.81
31	A	621	611	0.96
32	A	536	527	2.06
33	A	324	319	2.12
34	A	217	214	6.46
35	A	167	164	2.19
36	A	111	109	1.21

Atom	x (Å)	y (Å)	z (Å)
C1	-1.363	-0.819	0.089
H2	-1.917	-1.421	-0.649
H3	-1.645	-1.156	1.105
O4	0.055	-1.103	-0.087
C5	-1.543	0.711	-0.072
H6	-2.216	1.122	0.704
H7	-1.984	0.982	-1.053
C8	-0.111	1.180	0.052
H9	0.209	2.221	0.093
C10	2.199	0.009	0.008
H11	2.558	-0.500	-0.905
H12	2.657	1.008	0.057
H13	2.551	-0.586	0.869
C14	0.710	0.111	0.002

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.1016	1.1064	1.4568	1.5492	2.2070	2.2210	2.3593	3.4227	3.6578	4.0576	4.4159	3.9978	2.2736
H2	1.1016		1.7940	2.0748	2.2400	2.8951	2.4371	3.2431	4.2819	4.4063	4.5758	5.2267	4.7920	3.1097
H3	1.1064	1.7940		2.0773	2.2091	2.3819	3.0560	2.9868	3.9834	4.1639	4.7048	4.9287	4.2414	2.8927
O4	1.4568	2.0748	2.0773		2.4176	3.2756	3.0716	2.2929	3.3324	2.4169	2.7011	3.3538	2.7225	1.3820
C5	1.5492	2.2400	2.2091	2.4176		1.1051	1.1092	1.5125	2.3191	3.8083	4.3567	4.2126	4.3969	2.3329
H6	2.2070	2.8951	2.3819	3.2756	1.1051		1.7770	2.2045	2.7316	4.6054	5.2918	4.9167	5.0663	3.1737
H7	2.2210	2.4371	3.0560	3.0716	1.1092	1.7770		2.1839	2.7677	4.4237	4.7800	4.7719	5.1693	3.0214
C8	2.3593	3.2431	2.9868	2.2929	1.5125	2.2045	2.1839		1.0900	2.5897	3.2951	2.7728	3.2974	1.3485
H9	3.4227	4.2819	3.9834	3.3324	2.3191	2.7316	2.7677	1.0900		2.9766	3.7305	2.7320	3.7376	2.1708
C10	3.6578	4.4063	4.1639	2.4169	3.8083	4.6054	4.4237	2.5897	2.9766		1.1049	1.1005	1.1047	1.4925
H11	4.0576	4.5758	4.7048	2.7011	4.3567	5.2918	4.7800	3.2951	3.7305	1.1049		1.7914	1.7759	2.1473
H12	4.4159	5.2267	4.9287	3.3538	4.2126	4.9167	4.7719	2.7728	2.7320	1.1005	1.7914		1.7930	2.1446
H13	3.9978	4.7920	4.2414	2.7225	4.3969	5.0663	5.1693	3.2974	3.7376	1.1047	1.7759	1.7930		2.1513
C14	2.2736	3.1097	2.8927	1.3820	2.3329	3.1737	3.0214	1.3485	2.1708	1.4925	2.1473	2.1446	2.1513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	106.404	C1	C5	H6	111.398
C1	C5	H7	112.274	C1	C5	C8	100.808
H2	C1	H3	108.681	H2	C1	O4	107.567
H2	C1	C5	114.290	H3	C1	O4	107.484
H3	C1	C5	111.489	O4	C1	C5	107.035
O4	C14	C8	114.222	O4	C14	C10	114.395
C5	C8	H9	125.246	C5	C8	C14	109.122
H6	C5	H7	106.734	H6	C5	C8	113.835
H7	C5	C8	111.899	C8	C14	C10	131.376
H9	C8	C14	125.466	H11	C10	H12	108.640
H11	C10	H13	106.978	H11	C10	C14	110.643
H12	C10	H13	108.800	H12	C10	C14	110.695
H13	C10	C14	110.973

All results from a given calculation for C₅H₈O (Furan, 2,3-dihydro-5-methyl-)

using model chemistry: PBEPBEultrafine/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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Number	Element	Mulliken
1	C	-0.083
2	H	0.162
3	H	0.158
4	O	-0.455
5	C	-0.356
6	H	0.160
7	H	0.161
8	C	-0.235
9	H	0.131
10	C	-0.569
11	H	0.183
12	H	0.175
13	H	0.182
14	C	0.386

	x	y	z	Total
	-0.366	0.579	0.109	0.694
CHELPG
AIM
ESP

	x	y	z
x	10.056	-0.520	0.028
y	-0.520	8.421	0.003
z	0.028	0.003	5.830

<r²>	157.365
(<r²>)^1/2	12.545

All results from a given calculation for C5H8O (Furan, 2,3-dihydro-5-methyl-)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for C₅H₈O (Furan, 2,3-dihydro-5-methyl-)