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	hartrees
Energy at 0K	-270.434798
Energy at 298.15K	-270.443993
Nuclear repulsion energy	238.739232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3264	3137	3.64
2	A	3177	3054	9.86
3	A	3133	3011	34.16
4	A	3128	3007	9.58
5	A	3095	2975	31.49
6	A	3058	2940	21.97
7	A	3041	2923	54.02
8	A	3022	2905	51.87
9	A	1760	1692	60.55
10	A	1488	1430	2.12
11	A	1463	1407	1.43
12	A	1455	1399	2.57
13	A	1435	1379	7.90
14	A	1411	1356	40.80
15	A	1383	1330	1.79
16	A	1321	1270	10.78
17	A	1261	1212	66.04
18	A	1251	1202	2.55
19	A	1210	1163	16.59
20	A	1196	1150	3.47
21	A	1066	1025	0.24
22	A	1062	1021	51.07
23	A	1043	1003	3.94
24	A	1021	981	9.42
25	A	986	948	13.98
26	A	954	917	8.47
27	A	926	890	26.00
28	A	857	824	3.58
29	A	730	702	23.90
30	A	681	655	0.94
31	A	638	614	1.01
32	A	559	537	1.12
33	A	333	320	2.18
34	A	226	217	6.07
35	A	172	166	2.77
36	A	139	134	1.22

Atom	x (Å)	y (Å)	z (Å)
C1	-1.345	-0.809	0.109
H2	-1.925	-1.430	-0.584
H3	-1.591	-1.110	1.141
O4	0.047	-1.087	-0.107
C5	-1.530	0.700	-0.084
H6	-2.218	1.120	0.663
H7	-1.942	0.950	-1.078
C8	-0.109	1.170	0.058
H9	0.214	2.206	0.114
C10	2.180	0.007	0.011
H11	2.534	-0.491	-0.904
H12	2.640	0.999	0.075
H13	2.521	-0.603	0.861
C14	0.702	0.108	0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0968	1.1026	1.4363	1.5329	2.1891	2.2043	2.3341	3.3941	3.6199	4.0215	4.3762	3.9438	2.2460
H2	1.0968		1.7863	2.0583	2.2239	2.8545	2.4310	3.2364	4.2760	4.3904	4.5681	5.2132	4.7478	3.1005
H3	1.1026	1.7863		2.0595	2.1866	2.3655	3.0477	2.9266	3.9121	4.0920	4.6449	4.8458	4.1523	2.8356
O4	1.4363	2.0583	2.0595		2.3839	3.2555	3.0082	2.2690	3.3045	2.4000	2.6781	3.3326	2.7000	1.3674
C5	1.5329	2.2239	2.1866	2.3839		1.0994	1.1041	1.5031	2.3122	3.7756	4.3133	4.1835	4.3588	2.3107
H6	2.1891	2.8545	2.3655	3.2555	1.0994		1.7709	2.1941	2.7191	4.5837	5.2566	4.8949	5.0462	3.1606
H7	2.2043	2.4310	3.0477	3.0082	1.1041	1.7709		2.1675	2.7648	4.3667	4.7053	4.7249	5.1073	2.9770
C8	2.3341	3.2364	2.9266	2.2690	1.5031	2.1941	2.1675		1.0861	2.5688	3.2670	2.7547	3.2718	1.3377
H9	3.3941	4.2760	3.9121	3.3045	2.3122	2.7191	2.7648	1.0861		2.9518	3.7002	2.7100	3.7103	2.1564
C10	3.6199	4.3904	4.0920	2.4000	3.7756	4.5837	4.3667	2.5688	2.9518		1.0998	1.0953	1.0996	1.4817
H11	4.0215	4.5681	4.6449	2.6781	4.3133	5.2566	4.7053	3.2670	3.7002	1.0998		1.7858	1.7680	2.1291
H12	4.3762	5.2132	4.8458	3.3326	4.1835	4.8949	4.7249	2.7547	2.7100	1.0953	1.7858		1.7878	2.1339
H13	3.9438	4.7478	4.1523	2.7000	4.3588	5.0462	5.1073	3.2718	3.7103	1.0996	1.7680	1.7878		2.1337
C14	2.2460	3.1005	2.8356	1.3674	2.3107	3.1606	2.9770	1.3377	2.1564	1.4817	2.1291	2.1339	2.1337

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	106.444	C1	C5	H6	111.473
C1	C5	H7	112.406	C1	C5	C8	100.491
H2	C1	H3	108.617	H2	C1	O4	107.946
H2	C1	C5	114.472	H3	C1	O4	107.700
H3	C1	C5	111.077	O4	C1	C5	106.767
O4	C14	C8	114.019	O4	C14	C10	114.721
C5	C8	H9	125.751	C5	C8	C14	108.718
H6	C5	H7	106.959	H6	C5	C8	114.036
H7	C5	C8	111.560	C8	C14	C10	131.251
H9	C8	C14	125.341	H11	C10	H12	108.884
H11	C10	H13	107.001	H11	C10	C14	110.248
H12	C10	H13	109.074	H12	C10	C14	110.907
H13	C10	C14	110.626

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

using model chemistry: B1B95/cc-pVDZ

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	0.130
2	H	0.031
3	H	0.033
4	O	-0.298
5	C	-0.007
6	H	0.032
7	H	0.038
8	C	-0.159
9	H	-0.023
10	C	0.037
11	H	0.053
12	H	0.038
13	H	0.052
14	C	0.044

	x	y	z	Total
	-0.291	0.546	0.139	0.634
CHELPG
AIM
ESP

	x	y	z
x	10.118	-0.539	0.027
y	-0.539	8.503	-0.015
z	0.027	-0.015	6.011

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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