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	hartrees
Energy at 0K	-270.404451
Energy at 298.15K	-270.413508
Nuclear repulsion energy	236.283817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3305	3128	4.42
2	A	3190	3020	13.59
3	A	3175	3006	36.38
4	A	3149	2981	12.68
5	A	3117	2950	47.01
6	A	3100	2935	18.05
7	A	3078	2914	21.27
8	A	3066	2902	48.73
9	A	1776	1681	45.27
10	A	1568	1484	0.75
11	A	1549	1466	1.03
12	A	1539	1456	8.82
13	A	1522	1441	11.09
14	A	1471	1392	13.99
15	A	1415	1340	8.16
16	A	1353	1281	8.60
17	A	1301	1232	48.26
18	A	1277	1209	0.31
19	A	1241	1175	43.04
20	A	1219	1154	0.92
21	A	1117	1058	5.79
22	A	1102	1043	2.60
23	A	1072	1014	6.53
24	A	1045	989	12.56
25	A	987	934	53.43
26	A	949	899	15.54
27	A	898	850	26.64
28	A	862	816	0.58
29	A	773	732	32.94
30	A	742	702	0.94
31	A	643	609	1.44
32	A	557	527	1.21
33	A	335	317	3.12
34	A	228	216	10.62
35	A	159	151	1.93
36	A	39	37	2.77

Atom	x (Å)	y (Å)	z (Å)
C1	-1.399	-0.816	0.000
H2	-1.823	-1.284	-0.889
H3	-1.822	-1.283	0.890
O4	0.049	-1.110	-0.000
C5	-1.535	0.727	-0.000
H6	-2.080	1.086	0.880
H7	-2.080	1.085	-0.881
C8	-0.091	1.175	0.000
H9	0.222	2.208	0.000
C10	2.203	-0.003	0.000
H11	2.545	-0.556	-0.880
H12	2.671	0.983	-0.000
H13	2.545	-0.555	0.881
C14	0.726	0.115	-0.000

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0909	1.0909	1.4773	1.5489	2.2033	2.2034	2.3823	3.4307	3.6929	4.0490	4.4499	4.0490	2.3197
H2	1.0909		1.7796	2.0795	2.2176	2.9686	2.3831	3.1366	4.1431	4.3177	4.4278	5.1114	4.7687	3.0404
H3	1.0909	1.7796		2.0795	2.2175	2.3830	2.9690	3.1360	4.1423	4.3171	4.7680	5.1108	4.4271	3.0399
O4	1.4773	2.0795	2.0795		2.4251	3.1826	3.1821	2.2893	3.3218	2.4222	2.7037	3.3549	2.7042	1.3995
C5	1.5489	2.2176	2.2175	2.4251		1.0962	1.0962	1.5117	2.2976	3.8084	4.3658	4.2137	4.3657	2.3417
H6	2.2033	2.9686	2.3830	3.1826	1.0962		1.7614	2.1774	2.7086	4.5066	5.2139	4.8339	4.9074	3.0970
H7	2.2034	2.3831	2.9690	3.1821	1.0962	1.7614		2.1774	2.7087	4.5062	4.9070	4.8334	5.2136	3.0966
C8	2.3823	3.1366	3.1360	2.2893	1.5117	2.1774	2.1774		1.0788	2.5789	3.2737	2.7690	3.2734	1.3381
H9	3.4307	4.1431	4.1423	3.3218	2.2976	2.7086	2.7087	1.0788		2.9680	3.7154	2.7383	3.7149	2.1521
C10	3.6929	4.3177	4.3171	2.4222	3.8084	4.5066	4.5062	2.5789	2.9680		1.0944	1.0908	1.0944	1.4822
H11	4.0490	4.4278	4.7680	2.7037	4.3658	5.2139	4.9070	3.2737	3.7154	1.0944		1.7768	1.7615	2.1292
H12	4.4499	5.1114	5.1108	3.3549	4.2137	4.8339	4.8334	2.7690	2.7383	1.0908	1.7768		1.7768	2.1302
H13	4.0490	4.7687	4.4271	2.7042	4.3657	4.9074	5.2136	3.2734	3.7149	1.0944	1.7615	1.7768		2.1292
C14	2.3197	3.0404	3.0399	1.3995	2.3417	3.0970	3.0966	1.3381	2.1521	1.4822	2.1292	2.1302	2.1292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	107.451	C1	C5	H6	111.668
C1	C5	H7	111.671	C1	C5	C8	102.222
H2	C1	H3	109.310	H2	C1	O4	107.176
H2	C1	C5	113.151	H3	C1	O4	107.175
H3	C1	C5	113.145	O4	C1	C5	106.499
O4	C14	C8	113.465	O4	C14	C10	114.364
C5	C8	H9	124.127	C5	C8	C14	110.363
H6	C5	H7	106.908	H6	C5	C8	112.237
H7	C5	C8	112.232	C8	C14	C10	132.171
H9	C8	C14	125.509	H11	C10	H12	108.806
H11	C10	H13	107.180	H11	C10	C14	110.547
H12	C10	H13	108.805	H12	C10	C14	110.853
H13	C10	C14	110.549

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	-0.076
2	H	0.183
3	H	0.183
4	O	-0.563
5	C	-0.399
6	H	0.178
7	H	0.178
8	C	-0.201
9	H	0.165
10	C	-0.532
11	H	0.194
12	H	0.178
13	H	0.194
14	C	0.318

	x	y	z	Total
	-0.604	1.078	0.001	1.235
CHELPG
AIM
ESP

	x	y	z
x	9.407	-0.591	0.000
y	-0.591	8.122	0.000
z	0.000	0.000	5.454

<r²>	157.868
(<r²>)^1/2	12.565

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-)