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	hartrees
Energy at 0K	-270.467058
Energy at 298.15K	-270.476853
HF Energy	-270.467058
Nuclear repulsion energy	240.635378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3141	3100	26.82
2	A	3119	3079	2.95
3	A	3046	3006	38.20
4	A	3026	2986	44.27
5	A	2988	2949	49.68
6	A	2975	2936	12.79
7	A	2946	2907	55.43
8	A	2938	2899	34.34
9	A	1653	1631	82.56
10	A	1473	1454	3.09
11	A	1458	1439	4.08
12	A	1448	1430	1.83
13	A	1396	1378	3.20
14	A	1364	1346	2.25
15	A	1333	1316	1.80
16	A	1321	1304	4.43
17	A	1273	1256	3.03
18	A	1239	1223	57.36
19	A	1219	1203	23.49
20	A	1182	1167	2.91
21	A	1079	1065	3.99
22	A	1061	1047	81.83
23	A	1032	1018	19.56
24	A	1016	1003	3.34
25	A	920	908	8.45
26	A	909	898	1.01
27	A	879	867	19.24
28	A	865	854	5.64
29	A	822	811	7.58
30	A	744	735	4.21
31	A	717	707	30.22
32	A	502	496	4.21
33	A	487	480	1.82
34	A	437	432	12.64
35	A	273	269	0.50
36	A	173	170	2.34

Atom	x (Å)	y (Å)	z (Å)
H1	1.691	1.815	-0.203
C2	0.913	1.067	-0.083
H3	-0.667	2.416	0.087
C4	-0.385	1.368	0.062
H5	-2.299	0.580	-0.507
H6	-1.852	0.217	1.149
C7	-1.449	0.305	0.130
H8	-0.765	-1.053	-1.418
H9	-1.505	-1.878	-0.040
C10	-0.861	-1.039	-0.326
H11	0.989	-2.166	-0.023
H12	0.454	-1.216	1.388
C13	0.521	-1.230	0.290
O14	1.440	-0.193	-0.109

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0862	2.4506	2.1402	4.1882	4.1154	3.5001	3.9670	4.8866	3.8304	4.0462	3.6398	3.2987	2.0255
C2	1.0862		2.0844	1.3403	3.2765	3.1442	2.4908	3.0156	3.8104	2.7639	3.2340	2.7539	2.3592	1.3653
H3	2.4506	2.0844		1.0855	2.5274	2.7140	2.2516	3.7827	4.3763	3.4847	4.8728	4.0168	3.8393	3.3585
C4	2.1402	1.3403	1.0855		2.1467	2.1585	1.5054	2.8626	3.4348	2.4837	3.7922	3.0228	2.7602	2.4069
H5	4.1882	3.2765	2.5274	2.1467		1.7537	1.0974	2.4185	2.6247	2.1733	4.3111	3.7941	3.4444	3.8384
H6	4.1154	3.1442	2.7140	2.1585	1.7537		1.1001	3.0635	2.4339	2.1764	3.8892	2.7253	2.9091	3.5479
C7	3.5001	2.4908	2.2516	1.5054	1.0974	1.1001		2.1692	2.1897	1.5358	3.4742	2.7414	2.5020	2.9406
H8	3.9670	3.0156	3.7827	2.8626	2.4185	3.0635	2.1692		1.7677	1.0963	2.5021	3.0636	2.1455	2.7046
H9	4.8866	3.8104	4.3763	3.4348	2.6247	2.4339	2.1897	1.7677		1.0956	2.5108	2.5130	2.1528	3.3935
C10	3.8304	2.7639	3.4847	2.4837	2.1733	2.1764	1.5358	1.0963	1.0956		2.1869	2.1671	1.5247	2.4606
H11	4.0462	3.2340	4.8728	3.7922	4.3111	3.8892	3.4742	2.5021	2.5108	2.1869		1.7835	1.0926	2.0258
H12	3.6398	2.7539	4.0168	3.0228	3.7941	2.7253	2.7414	3.0636	2.5130	2.1671	1.7835		1.1000	2.0641
C13	3.2987	2.3592	3.8393	2.7602	3.4444	2.9091	2.5020	2.1455	2.1528	1.5247	1.0926	1.1000		1.4417
O14	2.0255	1.3653	3.3585	2.4069	3.8384	3.5479	2.9406	2.7046	3.3935	2.4606	2.0258	2.0641	1.4417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.524	H1	C2	O14	110.996
C2	C4	H3	117.969	C2	C4	C7	122.089
C2	O14	C13	114.331	H3	C4	C7	119.892
C4	C2	O14	125.478	C4	C7	H5	110.120
C4	C7	H6	110.805	C4	C7	C10	109.572
H5	C7	H6	105.868	H5	C7	C10	110.247
H6	C7	C10	110.179	C7	C10	H8	109.798
C7	C10	H9	111.671	C7	C10	C13	109.625
H8	C10	H9	107.481	H8	C10	C13	108.571
H9	C10	C13	109.623	C10	C13	H11	112.415
C10	C13	H12	110.091	C10	C13	O14	111.929
H11	C13	H12	108.738	H11	C13	O14	105.669
H12	C13	O14	107.785

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.114
2	C	0.153
3	H	0.098
4	C	-0.135
5	H	0.109
6	H	0.139
7	C	-0.149
8	H	0.133
9	H	0.108
10	C	-0.193
11	H	0.103
12	H	0.118
13	C	0.065
14	O	-0.664

	x	y	z	Total
	-1.201	-0.663	0.251	1.394
CHELPG
AIM
ESP

	x	y	z
x	10.557	-0.201	-0.109
y	-0.201	10.302	-0.050
z	-0.109	-0.050	7.828

<r²>	142.003
(<r²>)^1/2	11.917

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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