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	hartrees
Energy at 0K	-270.269925
Energy at 298.15K	-270.278954
Nuclear repulsion energy	236.987435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3172	3143	4.44
2	A	3075	3047	13.09
3	A	3042	3014	34.85
4	A	3024	2996	13.79
5	A	2995	2968	39.13
6	A	2970	2943	24.71
7	A	2955	2928	53.32
8	A	2928	2901	55.82
9	A	1677	1662	52.54
10	A	1465	1451	1.39
11	A	1443	1430	1.41
12	A	1439	1426	5.49
13	A	1419	1406	9.35
14	A	1367	1355	23.12
15	A	1348	1336	3.90
16	A	1276	1264	7.99
17	A	1223	1212	42.22
18	A	1213	1202	11.81
19	A	1168	1157	19.75
20	A	1163	1152	16.71
21	A	1042	1032	0.34
22	A	1021	1012	3.54
23	A	998	989	7.39
24	A	992	983	33.54
25	A	949	940	27.91
26	A	918	910	10.45
27	A	888	880	24.24
28	A	831	824	5.51
29	A	694	688	26.62
30	A	668	662	2.86
31	A	620	614	0.99
32	A	541	536	0.97
33	A	327	324	2.28
34	A	219	217	7.21
35	A	163	162	2.48
36	A	131	130	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	-1.363	-0.815	0.103
H2	-1.931	-1.429	-0.609
H3	-1.619	-1.127	1.130
O4	0.053	-1.100	-0.100
C5	-1.540	0.709	-0.082
H6	-2.223	1.129	0.674
H7	-1.957	0.966	-1.074
C8	-0.109	1.177	0.058
H9	0.212	2.215	0.108
C10	2.195	0.008	0.009
H11	2.548	-0.489	-0.909
H12	2.653	1.003	0.071
H13	2.540	-0.600	0.860
C14	0.709	0.110	0.003

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0984	1.1040	1.4592	1.5449	2.2005	2.2157	2.3547	3.4148	3.6531	4.0535	4.4092	3.9823	2.2717
H2	1.0984		1.7932	2.0746	2.2368	2.8770	2.4403	3.2496	4.2880	4.4120	4.5864	5.2340	4.7788	3.1166
H3	1.1040	1.7932		2.0762	2.2012	2.3791	3.0584	2.9561	3.9450	4.1339	4.6833	4.8900	4.2013	2.8673
O4	1.4592	2.0746	2.0762		2.4107	3.2783	3.0435	2.2888	3.3256	2.4136	2.6933	3.3489	2.7124	1.3807
C5	1.5449	2.2368	2.2012	2.4107		1.1019	1.1066	1.5124	2.3179	3.8005	4.3395	4.2062	4.3873	2.3286
H6	2.2005	2.8770	2.3791	3.2783	1.1019		1.7754	2.2024	2.7251	4.6054	5.2806	4.9147	5.0705	3.1752
H7	2.2157	2.4403	3.0584	3.0435	1.1066	1.7754		2.1783	2.7683	4.3965	4.7378	4.7511	5.1405	3.0003
C8	2.3547	3.2496	2.9561	2.2888	1.5124	2.2024	2.1783		1.0873	2.5833	3.2820	2.7674	3.2891	1.3452
H9	3.4148	4.2880	3.9450	3.3256	2.3179	2.7251	2.7683	1.0873		2.9684	3.7156	2.7259	3.7298	2.1651
C10	3.6531	4.4120	4.1339	2.4136	3.8005	4.6054	4.3965	2.5833	2.9684		1.1022	1.0977	1.1020	1.4891
H11	4.0535	4.5864	4.6833	2.6933	4.3395	5.2806	4.7378	3.2820	3.7156	1.1022		1.7887	1.7728	2.1386
H12	4.4092	5.2340	4.8900	3.3489	4.2062	4.9147	4.7511	2.7674	2.7259	1.0977	1.7887		1.7906	2.1407
H13	3.9823	4.7788	4.2013	2.7124	4.3873	5.0705	5.1405	3.2891	3.7298	1.1020	1.7728	1.7906		2.1433
C14	2.2717	3.1166	2.8673	1.3807	2.3286	3.1752	3.0003	1.3452	2.1651	1.4891	2.1386	2.1407	2.1433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	106.211	C1	C5	H6	111.383
C1	C5	H7	112.306	C1	C5	C8	100.736
H2	C1	H3	109.015	H2	C1	O4	107.577
H2	C1	C5	114.542	H3	C1	O4	107.374
H3	C1	C5	111.313	O4	C1	C5	106.693
O4	C14	C8	114.195	O4	C14	C10	114.452
C5	C8	H9	125.360	C5	C8	C14	109.008
H6	C5	H7	107.004	H6	C5	C8	113.873
H7	C5	C8	111.618	C8	C14	C10	131.343
H9	C8	C14	125.434	H11	C10	H12	108.798
H11	C10	H13	107.080	H11	C10	C14	110.350
H12	C10	H13	108.983	H12	C10	C14	110.795
H13	C10	C14	110.736

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

using model chemistry: PBEPBE/6-311G**

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	-0.052
2	H	0.128
3	H	0.128
4	O	-0.315
5	C	-0.255
6	H	0.132
7	H	0.134
8	C	-0.222
9	H	0.093
10	C	-0.292
11	H	0.137
12	H	0.128
13	H	0.138
14	C	0.118

	x	y	z	Total
	-0.389	0.578	0.122	0.707
CHELPG
AIM
ESP

	x	y	z
x	10.781	-0.547	0.026
y	-0.547	9.015	-0.020
z	0.026	-0.020	6.467

<r²>	157.174
(<r²>)^1/2	12.537

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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