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	hartrees
Energy at 0K	-48.942808
Energy at 298.15K	-48.951940
Nuclear repulsion energy	128.093901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3263	3123	3.35
2	A	3189	3052	19.74
3	A	3150	3015	48.59
4	A	3149	3014	24.60
5	A	3123	2989	34.75
6	A	3079	2947	24.38
7	A	3068	2936	63.79
8	A	3059	2929	56.90
9	A	1751	1677	65.19
10	A	1514	1450	1.57
11	A	1491	1427	1.69
12	A	1480	1417	4.81
13	A	1464	1402	9.48
14	A	1426	1365	45.97
15	A	1399	1340	2.17
16	A	1328	1271	9.50
17	A	1272	1218	88.73
18	A	1255	1202	1.73
19	A	1214	1162	15.71
20	A	1200	1148	4.94
21	A	1074	1028	49.17
22	A	1059	1014	0.63
23	A	1045	1001	7.10
24	A	1019	975	10.66
25	A	980	938	7.71
26	A	954	913	13.35
27	A	922	883	24.25
28	A	854	817	2.98
29	A	758	726	46.51
30	A	665	636	0.50
31	A	626	599	1.21
32	A	542	519	1.07
33	A	322	308	2.59
34	A	225	215	8.16
35	A	172	165	3.87
36	A	150	143	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	-1.350	-0.820	0.119
H2	-1.940	-1.455	-0.558
H3	-1.575	-1.102	1.163
O4	0.046	-1.097	-0.115
C5	-1.553	0.703	-0.093
H6	-2.250	1.120	0.650
H7	-1.953	0.940	-1.096
C8	-0.120	1.187	0.063
H9	0.202	2.224	0.129
C10	2.210	0.010	0.011
H11	2.569	-0.472	-0.914
H12	2.655	1.012	0.087
H13	2.554	-0.603	0.860
C14	0.707	0.105	0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0995	1.1047	1.4429	1.5507	2.2032	2.2213	2.3544	3.4170	3.6570	4.0679	4.4043	3.9799	2.2589
H2	1.0995		1.7943	2.0662	2.2407	2.8608	2.4540	3.2675	4.3124	4.4373	4.6287	5.2549	4.7887	3.1229
H3	1.1047	1.7943		2.0648	2.1989	2.3777	3.0678	2.9266	3.9100	4.1096	4.6780	4.8496	4.1703	2.8314
O4	1.4429	2.0662	2.0648		2.4080	3.2824	3.0177	2.2966	3.3339	2.4336	2.7189	3.3606	2.7357	1.3765
C5	1.5507	2.2407	2.1989	2.4080		1.1012	1.1048	1.5210	2.3336	3.8275	4.3641	4.2235	4.4141	2.3402
H6	2.2032	2.8608	2.3777	3.2824	1.1012		1.7802	2.2109	2.7395	4.6400	5.3106	4.9387	5.1082	3.1936
H7	2.2213	2.4540	3.0678	3.0177	1.1048	1.7802		2.1830	2.7923	4.4066	4.7408	4.7583	5.1498	2.9962
C8	2.3544	3.2675	2.9266	2.2966	1.5210	2.2109	2.1830		1.0883	2.6101	3.3065	2.7805	3.3148	1.3632
H9	3.4170	4.3124	3.9100	3.3339	2.3336	2.7395	2.7923	1.0883		2.9909	3.7359	2.7367	3.7496	2.1826
C10	3.6570	4.4373	4.1096	2.4336	3.8275	4.6400	4.4066	2.6101	2.9909		1.1027	1.0986	1.1025	1.5053
H11	4.0679	4.6287	4.6780	2.7189	4.3641	5.3106	4.7408	3.3065	3.7359	1.1027		1.7913	1.7783	2.1526
H12	4.4043	5.2549	4.8496	3.3606	4.2235	4.9387	4.7583	2.7805	2.7367	1.0986	1.7913		1.7930	2.1503
H13	3.9799	4.7887	4.1703	2.7357	4.4141	5.1082	5.1498	3.3148	3.7496	1.1025	1.7783	1.7930		2.1564
C14	2.2589	3.1229	2.8314	1.3765	2.3402	3.1936	2.9962	1.3632	2.1826	1.5053	2.1526	2.1503	2.1564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	106.464	C1	C5	H6	111.233
C1	C5	H7	112.452	C1	C5	C8	100.074
H2	C1	H3	108.979	H2	C1	O4	107.955
H2	C1	C5	114.371	H3	C1	O4	107.546
H3	C1	C5	110.685	O4	C1	C5	107.043
O4	C14	C8	113.916	O4	C14	C10	115.151
C5	C8	H9	126.032	C5	C8	C14	108.339
H6	C5	H7	107.603	H6	C5	C8	113.993
H7	C5	C8	111.491	C8	C14	C10	130.921
H9	C8	C14	125.447	H11	C10	H12	108.923
H11	C10	H13	107.490	H11	C10	C14	110.296
H12	C10	H13	109.091	H12	C10	C14	110.359
H13	C10	C14	110.615

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

using model chemistry: B1B95/CEP-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	-0.167
2	H	0.188
3	H	0.131
4	O	-0.086
5	C	-0.323
6	H	0.150
7	H	0.128
8	C	-0.155
9	H	0.340
10	C	-0.350
11	H	0.148
12	H	0.168
13	H	0.148
14	C	-0.321

	x	y	z	Total
	-0.460	0.666	0.165	0.826
CHELPG
AIM
ESP

	x	y	z
x	9.719	-0.581	0.045
y	-0.581	8.342	0.035
z	0.045	0.035	5.705

<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/CEP-31G*

States and conformations

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