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	hartrees
Energy at 0K	-270.497435
Energy at 298.15K	-270.507177
Nuclear repulsion energy	238.720907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3113	3101	29.94
2	A	3091	3079	3.98
3	A	3023	3011	39.15
4	A	2996	2985	47.60
5	A	2963	2951	50.17
6	A	2950	2938	16.47
7	A	2924	2913	54.22
8	A	2913	2901	35.07
9	A	1636	1630	66.26
10	A	1466	1460	2.27
11	A	1452	1446	2.99
12	A	1443	1437	1.95
13	A	1383	1378	1.74
14	A	1351	1346	2.91
15	A	1325	1320	1.02
16	A	1312	1307	4.68
17	A	1261	1256	2.86
18	A	1226	1222	43.00
19	A	1206	1202	24.75
20	A	1174	1170	3.93
21	A	1071	1067	3.71
22	A	1046	1042	76.97
23	A	1011	1007	27.37
24	A	1004	1000	2.81
25	A	903	900	6.79
26	A	895	892	1.08
27	A	869	866	8.26
28	A	853	849	14.70
29	A	803	800	8.54
30	A	737	734	3.89
31	A	713	710	26.23
32	A	497	495	4.67
33	A	481	479	1.82
34	A	435	433	14.17
35	A	270	269	0.49
36	A	173	173	2.75

Atom	x (Å)	y (Å)	z (Å)
H1	1.684	1.843	-0.197
C2	0.906	1.087	-0.080
H3	-0.698	2.425	0.089
C4	-0.400	1.377	0.062
H5	-2.314	0.560	-0.521
H6	-1.877	0.212	1.148
C7	-1.462	0.296	0.127
H8	-0.773	-1.085	-1.417
H9	-1.500	-1.903	-0.021
C10	-0.860	-1.059	-0.320
H11	1.020	-2.168	-0.041
H12	0.482	-1.240	1.392
C13	0.539	-1.239	0.289
O14	1.455	-0.177	-0.112

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0903	2.4678	2.1510	4.2105	4.1412	3.5207	4.0118	4.9192	3.8606	4.0685	3.6713	3.3230	2.0353
C2	1.0903		2.0955	1.3459	3.2926	3.1659	2.5060	3.0539	3.8388	2.7898	3.2575	2.7869	2.3836	1.3789
H3	2.4678	2.0955		1.0900	2.5422	2.7227	2.2630	3.8204	4.4032	3.5121	4.9054	4.0653	3.8723	3.3832
C4	2.1510	1.3459	1.0900		2.1605	2.1722	1.5168	2.8960	3.4602	2.5082	3.8200	3.0657	2.7885	2.4263
H5	4.2105	3.2926	2.5422	2.1605		1.7602	1.1024	2.4257	2.6415	2.1857	4.3341	3.8362	3.4688	3.8617
H6	4.1412	3.1659	2.7227	2.1722	1.7602		1.1051	3.0795	2.4456	2.1924	3.9332	2.7808	2.9465	3.5832
C7	3.5207	2.5060	2.2630	1.5168	1.1024	1.1051		2.1835	2.2039	1.5490	3.5013	2.7819	2.5274	2.9647
H8	4.0118	3.0539	3.8204	2.8960	2.4257	3.0795	2.1835		1.7742	1.1010	2.5059	3.0806	2.1581	2.7367
H9	4.9192	3.8388	4.4032	3.4602	2.6415	2.4456	2.2039	1.7742		1.1008	2.5340	2.5226	2.1674	3.4229
C10	3.8606	2.7898	3.5121	2.5082	2.1857	2.1924	1.5490	1.1010	1.1008		2.1997	2.1824	1.5363	2.4852
H11	4.0685	3.2575	4.9054	3.8200	4.3341	3.9332	3.5013	2.5059	2.5340	2.1997		1.7898	1.0969	2.0386
H12	3.6713	2.7869	4.0653	3.0657	3.8362	2.7808	2.7819	3.0806	2.5226	2.1824	1.7898		1.1044	2.0826
C13	3.3230	2.3836	3.8723	2.7885	3.4688	2.9465	2.5274	2.1581	2.1674	1.5363	1.0969	1.1044		1.4575
O14	2.0353	1.3789	3.3832	2.4263	3.8617	3.5832	2.9647	2.7367	3.4229	2.4852	2.0386	2.0826	1.4575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.661	H1	C2	O14	110.480
C2	C4	H3	118.307	C2	C4	C7	122.071
C2	O14	C13	114.326	H3	C4	C7	119.574
C4	C2	O14	125.857	C4	C7	H5	110.146
C4	C7	H6	110.909	C4	C7	C10	109.786
H5	C7	H6	105.762	H5	C7	C10	109.902
H6	C7	C10	110.269	C7	C10	H8	109.815
C7	C10	H9	111.432	C7	C10	C13	110.001
H8	C10	H9	107.374	H8	C10	C13	108.703
H9	C10	C13	109.442	C10	C13	H11	112.228
C10	C13	H12	110.400	C10	C13	O14	112.191
H11	C13	H12	108.792	H11	C13	O14	105.015
H12	C13	O14	107.975

All results from a given calculation for C₅H₈O (2H-Pyran, 3,4-dihydro-)

using model chemistry: BLYP/6-311G**

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	H	0.097
2	C	0.092
3	H	0.089
4	C	-0.220
5	H	0.112
6	H	0.111
7	C	-0.157
8	H	0.119
9	H	0.105
10	C	-0.254
11	H	0.109
12	H	0.106
13	C	-0.006
14	O	-0.302

	x	y	z	Total
	-1.117	-0.604	0.260	1.297
CHELPG
AIM
ESP

	x	y	z
x	9.719	-0.250	-0.173
y	-0.250	9.514	-0.096
z	-0.173	-0.096	6.552

<r²>	144.086
(<r²>)^1/2	12.004

All results from a given calculation for C5H8O (2H-Pyran, 3,4-dihydro-)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for C₅H₈O (2H-Pyran, 3,4-dihydro-)