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	hartrees
Energy at 0K	-270.229103
Energy at 298.15K	-270.238270
HF Energy	-270.229103
Nuclear repulsion energy	238.592828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3286	3122	3.75
2	A	3184	3026	11.51
3	A	3150	2993	37.00
4	A	3139	2983	11.14
5	A	3103	2949	36.60
6	A	3075	2922	19.90
7	A	3071	2918	44.33
8	A	3046	2895	50.44
9	A	1773	1685	57.39
10	A	1548	1471	0.33
11	A	1523	1447	0.38
12	A	1515	1440	4.46
13	A	1497	1422	8.49
14	A	1448	1376	31.57
15	A	1425	1354	4.27
16	A	1347	1280	10.05
17	A	1290	1226	65.60
18	A	1274	1211	4.53
19	A	1233	1171	27.64
20	A	1224	1163	4.83
21	A	1094	1039	0.65
22	A	1077	1023	31.83
23	A	1073	1019	25.47
24	A	1044	992	5.55
25	A	1004	954	12.15
26	A	959	912	15.68
27	A	935	889	21.68
28	A	869	825	2.83
29	A	737	701	26.69
30	A	703	668	1.54
31	A	643	611	1.14
32	A	562	534	1.89
33	A	335	318	2.29
34	A	226	215	6.68
35	A	173	164	2.33
36	A	114	108	1.55

Atom	x (Å)	y (Å)	z (Å)
C1	-1.349	-0.815	0.090
H2	-1.903	-1.411	-0.640
H3	-1.628	-1.147	1.098
O4	0.050	-1.088	-0.089
C5	-1.533	0.705	-0.070
H6	-2.196	1.111	0.703
H7	-1.972	0.974	-1.042
C8	-0.107	1.171	0.048
H9	0.211	2.204	0.095
C10	2.184	0.006	0.009
H11	2.536	-0.495	-0.900
H12	2.642	0.996	0.065
H13	2.525	-0.593	0.861
C14	0.703	0.110	0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0931	1.0974	1.4364	1.5394	2.1918	2.2063	2.3426	3.3982	3.6277	4.0216	4.3828	3.9566	2.2526
H2	1.0931		1.7791	2.0545	2.2228	2.8727	2.4195	3.2197	4.2519	4.3737	4.5395	5.1912	4.7467	3.0849
H3	1.0974	1.7791		2.0560	2.1915	2.3619	3.0321	2.9642	3.9518	4.1284	4.6642	4.8880	4.1968	2.8664
O4	1.4364	2.0545	2.0560		2.3918	3.2417	3.0407	2.2689	3.3010	2.4000	2.6814	3.3297	2.6973	1.3678
C5	1.5394	2.2228	2.1915	2.3918		1.0965	1.0999	1.5042	2.3054	3.7824	4.3222	4.1872	4.3612	2.3145
H6	2.1918	2.8727	2.3619	3.2417	1.0965		1.7646	2.1896	2.7127	4.5702	5.2479	4.8816	5.0222	3.1462
H7	2.2063	2.4195	3.0321	3.0407	1.0999	1.7646		2.1689	2.7516	4.3942	4.7427	4.7450	5.1283	2.9980
C8	2.3426	3.2197	2.9642	2.2689	1.5042	2.1896	2.1689		1.0818	2.5707	3.2653	2.7553	3.2716	1.3357
H9	3.3982	4.2519	3.9518	3.3010	2.3054	2.7127	2.7516	1.0818		2.9544	3.6983	2.7147	3.7100	2.1525
C10	3.6277	4.3737	4.1284	2.4000	3.7824	4.5702	4.3942	2.5707	2.9544		1.0963	1.0923	1.0961	1.4845
H11	4.0216	4.5395	4.6642	2.6814	4.3222	5.2479	4.7427	3.2653	3.6983	1.0963		1.7793	1.7642	2.1304
H12	4.3828	5.1912	4.8880	3.3297	4.1872	4.8816	4.7450	2.7553	2.7147	1.0923	1.7793		1.7808	2.1328
H13	3.9566	4.7467	4.1968	2.6973	4.3612	5.0222	5.1283	3.2716	3.7100	1.0961	1.7642	1.7808		2.1342
C14	2.2526	3.0849	2.8664	1.3678	2.3145	3.1462	2.9980	1.3357	2.1525	1.4845	2.1304	2.1328	2.1342

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	106.866	C1	C5	H6	111.404
C1	C5	H7	112.354	C1	C5	C8	100.641
H2	C1	H3	108.625	H2	C1	O4	107.857
H2	C1	C5	114.143	H3	C1	O4	107.717
H3	C1	C5	111.322	O4	C1	C5	106.925
O4	C14	C8	114.110	O4	C14	C10	114.519
C5	C8	H9	125.328	C5	C8	C14	109.029
H6	C5	H7	106.912	H6	C5	C8	113.770
H7	C5	C8	111.849	C8	C14	C10	131.364
H9	C8	C14	125.517	H11	C10	H12	108.781
H11	C10	H13	107.163	H11	C10	C14	110.373
H12	C10	H13	108.928	H12	C10	C14	110.807
H13	C10	C14	110.692

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

using model chemistry: PBE1PBE/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	-0.084
2	H	0.178
3	H	0.173
4	O	-0.505
5	C	-0.390
6	H	0.178
7	H	0.179
8	C	-0.278
9	H	0.162
10	C	-0.595
11	H	0.198
12	H	0.189
13	H	0.197
14	C	0.398

	x	y	z	Total
	-0.373	0.659	0.130	0.769
CHELPG
AIM
ESP

	x	y	z
x	9.546	-0.564	0.024
y	-0.564	8.143	0.007
z	0.024	0.007	5.695

<r²>	155.105
(<r²>)^1/2	12.454

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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