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	hartrees
Energy at 0K	-270.490786
Energy at 298.15K	-270.499957
Nuclear repulsion energy	238.631486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3286	3126	3.57
2	A	3187	3032	11.87
3	A	3147	2994	38.41
4	A	3142	2989	10.74
5	A	3104	2954	34.95
6	A	3074	2925	21.46
7	A	3070	2921	46.17
8	A	3048	2900	52.69
9	A	1770	1685	58.23
10	A	1537	1463	0.38
11	A	1512	1439	0.38
12	A	1503	1430	3.84
13	A	1485	1413	7.89
14	A	1439	1370	33.73
15	A	1417	1348	2.88
16	A	1341	1276	9.48
17	A	1286	1223	62.64
18	A	1269	1208	4.31
19	A	1229	1169	30.12
20	A	1220	1161	4.21
21	A	1088	1035	0.34
22	A	1071	1019	33.69
23	A	1066	1015	23.73
24	A	1040	989	5.48
25	A	1002	953	13.46
26	A	955	909	15.69
27	A	932	887	20.76
28	A	865	823	2.82
29	A	742	706	25.80
30	A	705	671	1.36
31	A	642	611	1.10
32	A	562	535	1.73
33	A	336	319	2.39
34	A	226	215	6.78
35	A	172	164	2.21
36	A	109	103	1.62

Atom	x (Å)	y (Å)	z (Å)
C1	-1.351	-0.815	0.086
H2	-1.901	-1.403	-0.651
H3	-1.639	-1.153	1.088
O4	0.050	-1.088	-0.085
C5	-1.532	0.707	-0.067
H6	-2.189	1.111	0.709
H7	-1.974	0.979	-1.034
C8	-0.105	1.171	0.046
H9	0.215	2.201	0.090
C10	2.184	0.005	0.009
H11	2.534	-0.498	-0.897
H12	2.641	0.993	0.063
H13	2.523	-0.591	0.861
C14	0.703	0.110	0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0914	1.0956	1.4377	1.5399	2.1910	2.2044	2.3449	3.3989	3.6298	4.0206	4.3829	3.9573	2.2550
H2	1.0914		1.7759	2.0554	2.2205	2.8734	2.4142	3.2155	4.2454	4.3709	4.5335	5.1850	4.7450	3.0820
H3	1.0956	1.7759		2.0564	2.1913	2.3605	3.0261	2.9725	3.9601	4.1369	4.6670	4.8960	4.2052	2.8741
O4	1.4377	2.0554	2.0564		2.3926	3.2376	3.0449	2.2688	3.2988	2.3998	2.6800	3.3272	2.6942	1.3680
C5	1.5399	2.2205	2.1913	2.3926		1.0944	1.0978	1.5045	2.3045	3.7821	4.3213	4.1851	4.3573	2.3146
H6	2.1910	2.8734	2.3605	3.2376	1.0944		1.7610	2.1876	2.7117	4.5648	5.2422	4.8751	5.0125	3.1419
H7	2.2044	2.4142	3.0261	3.0449	1.0978	1.7610		2.1672	2.7480	4.3962	4.7462	4.7443	5.1264	2.9994
C8	2.3449	3.2155	2.9725	2.2688	1.5045	2.1876	2.1672		1.0799	2.5694	3.2623	2.7526	3.2676	1.3350
H9	3.3989	4.2454	3.9601	3.2988	2.3045	2.7117	2.7480	1.0799		2.9508	3.6930	2.7109	3.7039	2.1495
C10	3.6298	4.3709	4.1369	2.3998	3.7821	4.5648	4.3962	2.5694	2.9508		1.0939	1.0899	1.0938	1.4841
H11	4.0206	4.5335	4.6670	2.6800	4.3213	5.2422	4.7462	3.2623	3.6930	1.0939		1.7761	1.7608	2.1279
H12	4.3829	5.1850	4.8960	3.3272	4.1851	4.8751	4.7443	2.7526	2.7109	1.0899	1.7761		1.7775	2.1304
H13	3.9573	4.7450	4.2052	2.6942	4.3573	5.0125	5.1264	3.2676	3.7039	1.0938	1.7608	1.7775		2.1311
C14	2.2550	3.0820	2.8741	1.3680	2.3146	3.1419	2.9994	1.3350	2.1495	1.4841	2.1279	2.1304	2.1311

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	106.951	C1	C5	H6	111.432
C1	C5	H7	112.305	C1	C5	C8	100.747
H2	C1	H3	108.592	H2	C1	O4	107.938
H2	C1	C5	114.024	H3	C1	O4	107.775
H3	C1	C5	111.381	O4	C1	C5	106.890
O4	C14	C8	114.141	O4	C14	C10	114.518
C5	C8	H9	125.378	C5	C8	C14	109.060
H6	C5	H7	106.900	H6	C5	C8	113.718
H7	C5	C8	111.829	C8	C14	C10	131.335
H9	C8	C14	125.445	H11	C10	H12	108.838
H11	C10	H13	107.197	H11	C10	C14	110.340
H12	C10	H13	108.977	H12	C10	C14	110.785
H13	C10	C14	110.612

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

using model chemistry: mPW1PW91/6-31G**

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	0.004
2	H	0.137
3	H	0.135
4	O	-0.519
5	C	-0.303
6	H	0.138
7	H	0.140
8	C	-0.232
9	H	0.118
10	C	-0.449
11	H	0.158
12	H	0.146
13	H	0.157
14	C	0.371

	x	y	z	Total
	-0.370	0.660	0.127	0.767
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	155.013
(<r²>)^1/2	12.450

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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