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	hartrees
Energy at 0K	-271.446076
Energy at 298.15K	-271.459004
HF Energy	-271.173483
Nuclear repulsion energy	259.866345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	2982	42.73
2	A'	3126	2967	64.36
3	A'	3113	2954	35.75
4	A'	3075	2919	11.27
5	A'	3060	2904	26.72
6	A'	3008	2856	98.45
7	A'	1556	1477	3.20
8	A'	1541	1463	3.79
9	A'	1532	1455	5.71
10	A'	1455	1381	10.41
11	A'	1417	1345	0.25
12	A'	1352	1283	3.18
13	A'	1313	1246	5.89
14	A'	1207	1145	3.40
15	A'	1071	1017	6.41
16	A'	1038	986	10.57
17	A'	902	856	19.19
18	A'	882	837	5.23
19	A'	841	798	2.76
20	A'	572	543	3.85
21	A'	440	418	1.65
22	A'	408	387	4.75
23	A'	255	242	3.84
24	A"	3139	2980	47.34
25	A"	3119	2961	32.05
26	A"	3074	2918	35.44
27	A"	3002	2849	19.10
28	A"	1541	1463	0.09
29	A"	1523	1445	1.58
30	A"	1425	1353	12.74
31	A"	1415	1343	0.83
32	A"	1385	1314	0.18
33	A"	1328	1261	8.14
34	A"	1252	1189	35.75
35	A"	1217	1155	0.15
36	A"	1143	1085	74.83
37	A"	1084	1029	14.15
38	A"	1005	954	3.54
39	A"	903	857	1.10
40	A"	838	795	0.74
41	A"	467	443	0.01
42	A"	243	230	0.50

Atom	x (Å)	y (Å)	z (Å)
O1	-0.680	-1.257	0.000
C2	0.653	1.314	0.000
H3	1.708	1.015	0.000
H4	0.620	2.408	0.000
C5	-0.023	0.736	1.252
C6	-0.023	0.736	-1.252
C7	-0.023	-0.796	-1.174
C8	-0.023	-0.796	1.174
H9	0.477	1.063	2.169
H10	0.477	1.063	-2.169
H11	-1.064	1.073	1.293
H12	-1.064	1.073	-1.293
H13	1.013	-1.165	-1.188
H14	1.013	-1.165	1.188
H15	-0.555	-1.235	-2.022
H16	-0.555	-1.235	2.022

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8966	3.2962	3.8891	2.4434	2.4434	1.4225	1.4225	3.3806	3.3806	2.6918	2.6918	2.0700	2.0700	2.0256	2.0256
C2	2.8966		1.0958	1.0944	1.5362	1.5362	2.5080	2.5080	2.1904	2.1904	2.1627	2.1627	2.7722	2.7722	3.4708	3.4708
H3	3.2962	1.0958		1.7670	2.1543	2.1543	2.7669	2.7669	2.4939	2.4939	3.0584	3.0584	2.5780	2.5780	3.7778	3.7778
H4	3.8891	1.0944	1.7670		2.1860	2.1860	3.4726	3.4726	2.5559	2.5559	2.5079	2.5079	3.7855	3.7855	4.3291	4.3291
C5	2.4434	1.5362	2.1543	2.1860		2.5039	2.8693	1.5335	1.0948	3.4727	1.0944	2.7697	3.2614	2.1652	3.8578	2.1814
C6	2.4434	1.5362	2.1543	2.1860	2.5039		1.5335	2.8693	3.4727	1.0948	2.7697	1.0944	2.1652	3.2614	2.1814	3.8578
C7	1.4225	2.5080	2.7669	3.4726	2.8693	1.5335		2.3490	3.8582	2.1671	3.2650	2.1419	1.0997	2.6057	1.0926	3.2697
C8	1.4225	2.5080	2.7669	3.4726	1.5335	2.8693	2.3490		2.1671	3.8582	2.1419	3.2650	2.6057	1.0997	3.2697	1.0926
H9	3.3806	2.1904	2.4939	2.5559	1.0948	3.4727	3.8582	2.1671		4.3377	1.7726	3.7890	4.0643	2.4927	4.8897	2.5240
H10	3.3806	2.1904	2.4939	2.5559	3.4727	1.0948	2.1671	3.8582	4.3377		3.7890	1.7726	2.4927	4.0643	2.5240	4.8897
H11	2.6918	2.1627	3.0584	2.5079	1.0944	2.7697	3.2650	2.1419	1.7726	3.7890		2.5853	3.9331	3.0541	4.0703	2.4727
H12	2.6918	2.1627	3.0584	2.5079	2.7697	1.0944	2.1419	3.2650	3.7890	1.7726	2.5853		3.0541	3.9331	2.4727	4.0703
H13	2.0700	2.7722	2.5780	3.7855	3.2614	2.1652	1.0997	2.6057	4.0643	2.4927	3.9331	3.0541		2.3757	1.7774	3.5728
H14	2.0700	2.7722	2.5780	3.7855	2.1652	3.2614	2.6057	1.0997	2.4927	4.0643	3.0541	3.9331	2.3757		3.5728	1.7774
H15	2.0256	3.4708	3.7778	4.3291	3.8578	2.1814	1.0926	3.2697	4.8897	2.5240	4.0703	2.4727	1.7774	3.5728		4.0433
H16	2.0256	3.4708	3.7778	4.3291	2.1814	3.8578	3.2697	1.0926	2.5240	4.8897	2.4727	4.0703	3.5728	1.7774	4.0433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.444	O1	C7	H13	109.647
O1	C7	H15	106.557	O1	C8	C5	111.444
O1	C8	H14	109.647	O1	C8	H16	106.557
C2	C5	C8	109.576	C2	C5	H9	111.622
C2	C5	H11	109.449	C2	C6	C7	109.576
C2	C6	H10	111.622	C2	C6	H12	109.449
H3	C2	H4	107.570	H3	C2	C5	108.716
H3	C2	C6	108.716	H4	C2	C5	111.294
H4	C2	C6	111.294	C5	C2	C6	109.172
C5	C8	H14	109.527	C5	C8	H16	111.231
C6	C7	H13	109.527	C6	C7	H15	111.231
C7	O1	C8	111.306	C7	C6	H10	109.962
C7	C6	H12	108.019	C8	C5	H9	109.962
C8	C5	H11	108.019	H9	C5	H11	108.132
H10	C6	H12	108.132	H13	C7	H15	108.347
H14	C8	H16	108.347

All results from a given calculation for C₅H₁₀O (2H-Pyran, tetrahydro-)

using model chemistry: B2PLYP/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	O	-0.537
2	C	-0.295
3	H	0.141
4	H	0.152
5	C	-0.298
6	C	-0.298
7	C	-0.015
8	C	-0.015
9	H	0.145
10	H	0.145
11	H	0.154
12	H	0.154
13	H	0.126
14	H	0.126
15	H	0.158
16	H	0.158

	x	y	z
x	7.303	0.081	0.000
y	0.081	7.762	0.000
z	0.000	0.000	8.723

<r²>	152.509
(<r²>)^1/2	12.349

All results from a given calculation for C5H10O (2H-Pyran, tetrahydro-)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₅H₁₀O (2H-Pyran, tetrahydro-)