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	hartrees
Energy at 0K	-270.550476
Energy at 298.15K	-270.559729
HF Energy	-270.550476
Nuclear repulsion energy	238.928866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3269	3122	3.22
2	A	3163	3021	13.02
3	A	3147	3005	33.74
4	A	3129	2988	10.57
5	A	3107	2967	29.46
6	A	3064	2926	18.99
7	A	3060	2923	49.01
8	A	3049	2912	47.01
9	A	1756	1677	69.58
10	A	1530	1461	1.43
11	A	1509	1441	1.53
12	A	1499	1432	6.52
13	A	1481	1414	9.40
14	A	1435	1371	26.26
15	A	1416	1352	5.16
16	A	1336	1276	7.17
17	A	1282	1225	74.26
18	A	1270	1213	1.28
19	A	1222	1167	8.90
20	A	1213	1159	35.46
21	A	1090	1041	0.28
22	A	1075	1026	3.64
23	A	1061	1013	50.28
24	A	1034	987	6.50
25	A	996	951	12.35
26	A	945	902	18.96
27	A	929	888	28.45
28	A	872	833	4.28
29	A	741	708	34.32
30	A	702	670	1.77
31	A	641	612	1.07
32	A	568	542	0.44
33	A	345	329	2.68
34	A	230	220	7.47
35	A	173	165	2.67
36	A	130	124	1.76

Atom	x (Å)	y (Å)	z (Å)
C1	-1.361	-0.811	0.084
H2	-1.907	-1.389	-0.660
H3	-1.645	-1.153	1.082
O4	0.044	-1.086	-0.085
C5	-1.528	0.711	-0.062
H6	-2.171	1.117	0.722
H7	-1.973	0.986	-1.024
C8	-0.096	1.166	0.041
H9	0.231	2.193	0.081
C10	2.184	-0.001	0.010
H11	2.530	-0.505	-0.895
H12	2.642	0.986	0.063
H13	2.515	-0.594	0.866
C14	0.705	0.109	0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0889	1.0925	1.4424	1.5379	2.1858	2.1971	2.3473	3.3992	3.6376	4.0241	4.3874	3.9607	2.2634
H2	1.0889		1.7771	2.0571	2.2160	2.8733	2.4028	3.2092	4.2364	4.3723	4.5307	5.1820	4.7457	3.0831
H3	1.0925	1.7771		2.0545	2.1901	2.3573	3.0187	2.9765	3.9640	4.1401	4.6648	4.8978	4.2037	2.8785
O4	1.4424	2.0571	2.0545		2.3886	3.2269	3.0406	2.2605	3.2885	2.4012	2.6782	3.3257	2.6930	1.3688
C5	1.5379	2.2160	2.1901	2.3886		1.0917	1.0945	1.5061	2.3043	3.7811	4.3176	4.1807	4.3490	2.3138
H6	2.1858	2.8733	2.3573	3.2269	1.0917		1.7614	2.1840	2.7087	4.5525	5.2290	4.8593	4.9908	3.1315
H7	2.1971	2.4028	3.0187	3.0406	1.0945	1.7614		2.1655	2.7451	4.3963	4.7451	4.7409	5.1196	2.9983
C8	2.3473	3.2092	2.9765	2.2605	1.5061	2.1840	2.1655		1.0781	2.5623	3.2506	2.7439	3.2553	1.3269
H9	3.3992	4.2364	3.9640	3.2885	2.3043	2.7087	2.7451	1.0781		2.9384	3.6762	2.6961	3.6874	2.1381
C10	3.6376	4.3723	4.1401	2.4012	3.7811	4.5525	4.3963	2.5623	2.9384		1.0919	1.0889	1.0918	1.4835
H11	4.0241	4.5307	4.6648	2.6782	4.3176	5.2290	4.7451	3.2506	3.6762	1.0919		1.7750	1.7629	2.1236
H12	4.3874	5.1820	4.8978	3.3257	4.1807	4.8593	4.7409	2.7439	2.6961	1.0889	1.7750		1.7759	2.1264
H13	3.9607	4.7457	4.2037	2.6930	4.3490	4.9908	5.1196	3.2553	3.6874	1.0918	1.7629	1.7759		2.1259
C14	2.2634	3.0831	2.8785	1.3688	2.3138	3.1315	2.9983	1.3269	2.1381	1.4835	2.1236	2.1264	2.1259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	107.218	C1	C5	H6	111.314
C1	C5	H7	112.057	C1	C5	C8	100.907
H2	C1	H3	109.104	H2	C1	O4	107.904
H2	C1	C5	113.956	H3	C1	O4	107.478
H3	C1	C5	111.612	O4	C1	C5	106.495
O4	C14	C8	113.968	O4	C14	C10	114.615
C5	C8	H9	125.364	C5	C8	C14	109.359
H6	C5	H7	107.353	H6	C5	C8	113.470
H7	C5	C8	111.781	C8	C14	C10	131.409
H9	C8	C14	125.180	H11	C10	H12	108.962
H11	C10	H13	107.664	H11	C10	C14	110.167
H12	C10	H13	109.050	H12	C10	C14	110.576
H13	C10	C14	110.356

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

using model chemistry: wB97X-D/TZVP

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	-0.090
2	H	0.124
3	H	0.121
4	O	-0.207
5	C	-0.248
6	H	0.128
7	H	0.127
8	C	-0.182
9	H	0.145
10	C	-0.439
11	H	0.139
12	H	0.137
13	H	0.141
14	C	0.105

	x	y	z	Total
	-0.461	0.731	0.136	0.875
CHELPG
AIM
ESP

	x	y	z
x	10.362	-0.611	0.002
y	-0.611	9.069	-0.013
z	0.002	-0.013	6.914

<r²>	155.036
(<r²>)^1/2	12.451

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

using model chemistry: wB97X-D/TZVP

States and conformations

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