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	hartrees
Energy at 0K	-270.558468
Energy at 298.15K	-270.567601
Nuclear repulsion energy	237.229366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3238	3141	4.15
2	A	3139	3045	12.67
3	A	3101	3008	38.83
4	A	3088	2995	13.34
5	A	3056	2964	43.00
6	A	3032	2941	26.15
7	A	3021	2931	48.61
8	A	2998	2908	55.82
9	A	1737	1685	57.10
10	A	1491	1447	0.70
11	A	1469	1425	0.44
12	A	1459	1415	2.89
13	A	1439	1396	7.21
14	A	1407	1365	25.63
15	A	1386	1345	4.74
16	A	1314	1274	10.99
17	A	1255	1218	53.25
18	A	1243	1205	4.23
19	A	1201	1165	26.80
20	A	1193	1158	6.04
21	A	1070	1038	0.31
22	A	1051	1019	4.57
23	A	1030	1000	44.55
24	A	1017	986	5.76
25	A	979	950	24.16
26	A	935	907	12.58
27	A	911	884	24.93
28	A	848	823	4.23
29	A	728	706	21.25
30	A	697	676	1.89
31	A	633	614	0.84
32	A	558	541	1.16
33	A	334	324	2.08
34	A	224	217	5.99
35	A	172	166	2.24
36	A	113	110	1.30

Atom	x (Å)	y (Å)	z (Å)
C1	-1.363	-0.816	0.089
H2	-1.919	-1.414	-0.648
H3	-1.646	-1.154	1.102
O4	0.049	-1.095	-0.088
C5	-1.538	0.712	-0.069
H6	-2.204	1.125	0.707
H7	-1.978	0.984	-1.047
C8	-0.103	1.176	0.048
H9	0.222	2.214	0.094
C10	2.195	0.004	0.009
H11	2.548	-0.504	-0.904
H12	2.658	0.999	0.064
H13	2.537	-0.600	0.866
C14	0.709	0.109	0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0996	1.1044	1.4500	1.5461	2.2039	2.2159	2.3581	3.4196	3.6519	4.0475	4.4119	3.9829	2.2709
H2	1.0996		1.7902	2.0704	2.2353	2.8917	2.4310	3.2387	4.2767	4.4002	4.5658	5.2224	4.7761	3.1055
H3	1.1044	1.7902		2.0719	2.2050	2.3788	3.0492	2.9869	3.9807	4.1577	4.6945	4.9231	4.2266	2.8901
O4	1.4500	2.0704	2.0719		2.4048	3.2609	3.0579	2.2804	3.3182	2.4128	2.6948	3.3488	2.7107	1.3762
C5	1.5461	2.2353	2.2050	2.4048		1.1026	1.1066	1.5132	2.3197	3.8002	4.3445	4.2084	4.3824	2.3273
H6	2.2039	2.8917	2.3788	3.2609	1.1026		1.7743	2.2022	2.7285	4.5921	5.2753	4.9058	5.0475	3.1640
H7	2.2159	2.4310	3.0492	3.0579	1.1066	1.7743		2.1803	2.7669	4.4147	4.7671	4.7680	5.1536	3.0139
C8	2.3581	3.2387	2.9869	2.2804	1.5132	2.2022	2.1803		1.0881	2.5797	3.2800	2.7670	3.2857	1.3413
H9	3.4196	4.2767	3.9807	3.3182	2.3197	2.7285	2.7669	1.0881		2.9634	3.7139	2.7228	3.7249	2.1618
C10	3.6519	4.4002	4.1577	2.4128	3.8002	4.5921	4.4147	2.5797	2.9634		1.1030	1.0985	1.1029	1.4897
H11	4.0475	4.5658	4.6945	2.6948	4.3445	5.2753	4.7671	3.2800	3.7139	1.1030		1.7907	1.7723	2.1400
H12	4.4119	5.2224	4.9231	3.3488	4.2084	4.9058	4.7680	2.7670	2.7228	1.0985	1.7907		1.7923	2.1437
H13	3.9829	4.7761	4.2266	2.7107	4.3824	5.0475	5.1536	3.2857	3.7249	1.1029	1.7723	1.7923		2.1437
C14	2.2709	3.1055	2.8901	1.3762	2.3273	3.1640	3.0139	1.3413	2.1618	1.4897	2.1400	2.1437	2.1437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	106.905	C1	C5	H6	111.524
C1	C5	H7	112.240	C1	C5	C8	100.844
H2	C1	H3	108.637	H2	C1	O4	107.807
H2	C1	C5	114.260	H3	C1	O4	107.637
H3	C1	C5	111.503	O4	C1	C5	106.722
O4	C14	C8	114.096	O4	C14	C10	114.624
C5	C8	H9	125.401	C5	C8	C14	109.085
H6	C5	H7	106.858	H6	C5	C8	113.752
H7	C5	C8	111.719	C8	C14	C10	131.273
H9	C8	C14	125.392	H11	C10	H12	108.851
H11	C10	H13	106.916	H11	C10	C14	110.360
H12	C10	H13	109.009	H12	C10	C14	110.930
H13	C10	C14	110.668

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

using model chemistry: B3LYP/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	0.151
2	H	0.019
3	H	0.020
4	O	-0.298
5	C	0.020
6	H	0.018
7	H	0.023
8	C	-0.137
9	H	-0.040
10	C	0.054
11	H	0.040
12	H	0.026
13	H	0.039
14	C	0.064

	x	y	z	Total
	-0.328	0.550	0.116	0.650
CHELPG
AIM
ESP

	x	y	z
x	10.235	-0.552	0.023
y	-0.552	8.615	-0.013
z	0.023	-0.013	6.032

<r²>	156.985
(<r²>)^1/2	12.529

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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