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	hartrees
Energy at 0K	-270.213695
Energy at 298.15K	-270.222701
Nuclear repulsion energy	236.483424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	3160	3.85
2	A	3090	3072	9.48
3	A	3040	3023	32.87
4	A	3034	3016	10.36
5	A	2999	2982	33.37
6	A	2971	2954	25.47
7	A	2948	2930	55.34
8	A	2926	2909	55.90
9	A	1688	1678	51.86
10	A	1436	1428	1.42
11	A	1415	1406	0.68
12	A	1410	1401	2.97
13	A	1388	1380	7.93
14	A	1359	1351	31.61
15	A	1336	1329	2.07
16	A	1271	1264	11.29
17	A	1213	1206	55.75
18	A	1206	1199	1.82
19	A	1165	1159	16.30
20	A	1153	1146	2.54
21	A	1032	1026	0.51
22	A	1008	1002	5.19
23	A	999	993	25.96
24	A	987	981	20.06
25	A	950	944	24.44
26	A	923	918	7.40
27	A	889	884	21.83
28	A	827	823	4.57
29	A	689	685	20.15
30	A	665	661	3.03
31	A	622	618	0.91
32	A	538	534	1.17
33	A	326	324	2.07
34	A	218	217	6.35
35	A	162	161	2.37
36	A	132	132	0.89

Atom	x (Å)	y (Å)	z (Å)
C1	-1.362	-0.815	0.104
H2	-1.936	-1.438	-0.608
H3	-1.619	-1.130	1.140
O4	0.053	-1.102	-0.101
C5	-1.542	0.708	-0.083
H6	-2.235	1.130	0.674
H7	-1.963	0.966	-1.082
C8	-0.112	1.181	0.059
H9	0.212	2.226	0.108
C10	2.197	0.010	0.009
H11	2.557	-0.495	-0.912
H12	2.659	1.012	0.068
H13	2.549	-0.601	0.867
C14	0.710	0.109	0.002

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.1071	1.1131	1.4582	1.5447	2.2075	2.2226	2.3552	3.4241	3.6540	4.0605	4.4161	3.9904	2.2707
H2	1.1071		1.8036	2.0806	2.2444	2.8866	2.4506	3.2609	4.3076	4.4227	4.6010	5.2511	4.7956	3.1257
H3	1.1131	1.8036		2.0823	2.2082	2.3884	3.0739	2.9623	3.9594	4.1394	4.6953	4.9020	4.2101	2.8725
O4	1.4582	2.0806	2.0823		2.4125	3.2896	3.0502	2.2944	3.3383	2.4173	2.7006	3.3595	2.7236	1.3817
C5	1.5447	2.2444	2.2082	2.4125		1.1100	1.1152	1.5128	2.3277	3.8043	4.3512	4.2141	4.3987	2.3315
H6	2.2075	2.8866	2.3884	3.2896	1.1100		1.7853	2.2110	2.7406	4.6195	5.3028	4.9325	5.0914	3.1887
H7	2.2226	2.4506	3.0739	3.0502	1.1152	1.7853		2.1853	2.7812	4.4054	4.7529	4.7625	5.1585	3.0090
C8	2.3552	3.2609	2.9623	2.2944	1.5128	2.2110	2.1853		1.0953	2.5892	3.2976	2.7756	3.3024	1.3517
H9	3.4241	4.3076	3.9594	3.3383	2.3277	2.7406	2.7812	1.0953		2.9764	3.7337	2.7311	3.7449	2.1770
C10	3.6540	4.4227	4.1394	2.4173	3.8043	4.6195	4.4054	2.5892	2.9764		1.1102	1.1052	1.1100	1.4902
H11	4.0605	4.6010	4.6953	2.7006	4.3512	5.3028	4.7529	3.2976	3.7337	1.1102		1.8007	1.7816	2.1474
H12	4.4161	5.2511	4.9020	3.3595	4.2141	4.9325	4.7625	2.7756	2.7311	1.1052	1.8007		1.8028	2.1487
H13	3.9904	4.7956	4.2101	2.7236	4.3987	5.0914	5.1585	3.3024	3.7449	1.1100	1.7816	1.8028		2.1526
C14	2.2707	3.1257	2.8725	1.3817	2.3315	3.1887	3.0090	1.3517	2.1770	1.4902	2.1474	2.1487	2.1526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	106.148	C1	C5	H6	111.471
C1	C5	H7	112.356	C1	C5	C8	100.758
H2	C1	H3	108.659	H2	C1	O4	107.611
H2	C1	C5	114.635	H3	C1	O4	107.402
H3	C1	C5	111.340	O4	C1	C5	106.879
O4	C14	C8	114.153	O4	C14	C10	114.590
C5	C8	H9	125.613	C5	C8	C14	108.835
H6	C5	H7	106.707	H6	C5	C8	114.036
H7	C5	C8	111.624	C8	C14	C10	131.249
H9	C8	C14	125.333	H11	C10	H12	108.744
H11	C10	H13	106.734	H11	C10	C14	110.492
H12	C10	H13	108.945	H12	C10	C14	110.893
H13	C10	C14	110.913

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

using model chemistry: PBEPBE/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	0.106
2	H	0.032
3	H	0.034
4	O	-0.258
5	C	-0.011
6	H	0.031
7	H	0.037
8	C	-0.145
9	H	-0.031
10	C	0.008
11	H	0.053
12	H	0.040
13	H	0.052
14	C	0.052

	x	y	z	Total
	-0.296	0.456	0.110	0.555
CHELPG
AIM
ESP

	x	y	z
x	10.665	-0.520	0.029
y	-0.520	8.833	-0.022
z	0.029	-0.022	6.194

<r²>	157.579
(<r²>)^1/2	12.553

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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