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	hartrees
Energy at 0K	-270.344615
Energy at 298.15K	-270.354587
HF Energy	-270.344615
Nuclear repulsion energy	242.411052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3214	3089	20.40
2	A	3192	3068	1.87
3	A	3118	2997	32.02
4	A	3104	2984	34.54
5	A	3068	2948	36.63
6	A	3053	2934	10.77
7	A	3021	2904	42.73
8	A	3016	2899	34.06
9	A	1728	1661	82.01
10	A	1501	1443	4.36
11	A	1483	1425	5.01
12	A	1471	1413	2.81
13	A	1434	1378	3.92
14	A	1399	1345	2.78
15	A	1372	1319	1.50
16	A	1353	1300	3.57
17	A	1305	1254	3.10
18	A	1285	1235	101.48
19	A	1259	1210	6.18
20	A	1211	1164	3.43
21	A	1112	1069	47.75
22	A	1105	1062	26.39
23	A	1077	1035	11.43
24	A	1045	1004	3.00
25	A	963	925	9.04
26	A	959	922	3.93
27	A	920	885	22.92
28	A	889	855	1.56
29	A	863	830	3.83
30	A	768	738	10.50
31	A	745	716	20.92
32	A	514	494	6.40
33	A	497	478	1.91
34	A	453	435	12.35
35	A	279	268	0.52
36	A	183	176	2.61

Atom	x (Å)	y (Å)	z (Å)
H1	2.022	1.412	-0.104
C2	1.129	0.830	-0.043
H3	-0.155	2.440	-0.312
C4	-0.079	1.410	-0.037
H5	-2.210	1.106	-0.045
H6	-1.350	0.413	1.330
C7	-1.288	0.601	0.256
H8	-0.964	-0.668	-1.477
H9	-1.906	-1.451	-0.181
C10	-1.081	-0.769	-0.398
H11	0.446	-2.323	-0.135
H12	0.071	-1.373	1.309
C13	0.204	-1.324	0.226
O14	1.342	-0.506	-0.051

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0685	2.4165	2.1024	4.2434	3.7984	3.4276	3.8898	4.8620	3.8050	4.0542	3.6826	3.3016	2.0359
C2	1.0685		2.0764	1.3397	3.3494	2.8640	2.4460	2.9458	3.7990	2.7507	3.2271	2.7929	2.3591	1.3529
H3	2.4165	2.0764		1.0684	2.4645	2.8691	2.2338	3.4166	4.2694	3.3417	4.8039	4.1496	3.8190	3.3148
C4	2.1024	1.3397	1.0684		2.1522	2.1164	1.4845	2.6786	3.3983	2.4261	3.7711	3.0957	2.7613	2.3858
H5	4.2434	3.3494	2.4645	2.1522		1.7632	1.0928	2.5975	2.5785	2.2168	4.3375	3.6307	3.4353	3.9003
H6	3.7984	2.8640	2.8691	2.1164	1.7632		1.0923	3.0323	2.4635	2.1110	3.5860	2.2831	2.5790	3.1627
C7	3.4276	2.4460	2.2338	1.4845	1.0928	1.0923		2.1715	2.1870	1.5321	3.4216	2.6182	2.4355	2.8703
H8	3.8898	2.9458	3.4166	2.6786	2.5975	3.0323	2.1715		1.7831	1.0899	2.5542	3.0546	2.1664	2.7158
H9	4.8620	3.7990	4.2694	3.3983	2.5785	2.4635	2.1870	1.7831		1.0921	2.5088	2.4775	2.1530	3.3857
C10	3.8050	2.7507	3.3417	2.4261	2.2168	2.1110	1.5321	1.0899	1.0921		2.1939	2.1463	1.5323	2.4621
H11	4.0542	3.2271	4.8039	3.7711	4.3375	3.5860	3.4216	2.5542	2.5088	2.1939		1.7692	1.0897	2.0277
H12	3.6826	2.7929	4.1496	3.0957	3.6307	2.2831	2.6182	3.0546	2.4775	2.1463	1.7692		1.0924	2.0541
C13	3.3016	2.3591	3.8190	2.7613	3.4353	2.5790	2.4355	2.1664	2.1530	1.5323	1.0897	1.0924		1.4288
O14	2.0359	1.3529	3.3148	2.3858	3.9003	3.1627	2.8703	2.7158	3.3857	2.4621	2.0277	2.0541	1.4288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	121.205	H1	C2	O14	113.929
C2	C4	H3	118.710	C2	C4	C7	119.923
C2	O14	C13	115.983	H3	C4	C7	121.233
C4	C2	O14	124.764	C4	C7	H5	112.360
C4	C7	H6	109.494	C4	C7	C10	107.067
H5	C7	H6	107.592	H5	C7	C10	114.204
H6	C7	C10	105.879	C7	C10	H8	110.698
C7	C10	H9	111.811	C7	C10	C13	105.265
H8	C10	H9	109.616	H8	C10	C13	110.276
H9	C10	C13	109.090	C10	C13	H11	112.494
C10	C13	H12	108.552	C10	C13	O14	112.456
H11	C13	H12	108.341	H11	C13	O14	106.467
H12	C13	O14	108.382

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.127
2	C	-0.014
3	H	0.125
4	C	-0.240
5	H	0.093
6	H	0.094
7	C	-0.135
8	H	0.097
9	H	0.090
10	C	-0.191
11	H	0.092
12	H	0.067
13	C	0.019
14	O	-0.224

	x	y	z	Total
	-1.108	-0.585	0.249	1.277
CHELPG
AIM
ESP

	x	y	z
x	9.752	-0.218	-0.145
y	-0.218	9.405	-0.071
z	-0.145	-0.071	6.839

<r²>	139.989
(<r²>)^1/2	11.832

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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