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	hartrees
Energy at 0K	-269.094335
Energy at 298.15K	-269.107242
HF Energy	-268.522245
Nuclear repulsion energy	256.264565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	3008	63.24
2	A'	3143	3000	13.94
3	A'	3126	2983	23.37
4	A'	3089	2948	6.48
5	A'	3073	2933	19.25
6	A'	3029	2892	78.58
7	A'	1597	1524	7.22
8	A'	1581	1509	1.87
9	A'	1578	1506	8.08
10	A'	1466	1399	0.73
11	A'	1431	1366	2.09
12	A'	1340	1279	1.39
13	A'	1334	1273	3.90
14	A'	1211	1156	1.58
15	A'	1073	1025	4.76
16	A'	1022	975	5.63
17	A'	899	858	8.10
18	A'	851	812	11.40
19	A'	808	771	3.25
20	A'	557	532	3.80
21	A'	436	416	2.13
22	A'	396	378	6.02
23	A'	251	239	5.55
24	A"	3146	3003	10.17
25	A"	3139	2996	40.54
26	A"	3089	2948	27.26
27	A"	3027	2889	12.93
28	A"	1583	1511	0.05
29	A"	1566	1495	2.25
30	A"	1430	1365	1.81
31	A"	1427	1362	0.16
32	A"	1418	1353	14.10
33	A"	1349	1287	2.46
34	A"	1251	1194	8.30
35	A"	1220	1165	6.29
36	A"	1087	1038	2.94
37	A"	1077	1028	60.01
38	A"	1030	983	6.40
39	A"	874	835	0.81
40	A"	840	802	0.35
41	A"	459	438	0.08
42	A"	240	229	0.72

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	1.467	0.000
C2	0.066	-1.477	0.000
H3	-1.000	-1.743	0.000
H4	0.647	-2.407	0.000
C5	0.379	-0.639	1.268
C6	0.379	-0.639	-1.268
C7	-0.377	0.704	-1.207
C8	-0.377	0.704	1.207
H9	0.093	-1.183	2.177
H10	0.093	-1.183	-2.177
H11	1.454	-0.431	1.308
H12	1.454	-0.431	-1.308
H13	-1.463	0.514	-1.215
H14	-1.463	0.514	1.215
H15	-0.118	1.351	-2.050
H16	-0.118	1.351	2.050

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.9448	3.3626	3.9275	2.4875	2.4875	1.4769	1.4769	3.4308	3.4308	2.7255	2.7255	2.1268	2.1268	2.0563	2.0563
C2	2.9448		1.0991	1.0962	1.5516	1.5516	2.5319	2.5319	2.1965	2.1965	2.1752	2.1752	2.7890	2.7890	3.4974	3.4974
H3	3.3626	1.0991		1.7756	2.1747	2.1747	2.7992	2.7992	2.4994	2.4994	3.0753	3.0753	2.6052	2.6052	3.8149	3.8149
H4	3.9275	1.0962	1.7756		2.1917	2.1917	3.4904	3.4904	2.5576	2.5576	2.5032	2.5032	3.8024	3.8024	4.3482	4.3482
C5	2.4875	1.5516	2.1747	2.1917		2.5359	2.9158	1.5427	1.0970	3.4990	1.0961	2.7989	3.2996	2.1738	3.9005	2.1952
C6	2.4875	1.5516	2.1747	2.1917	2.5359		1.5427	2.9158	3.4990	1.0970	2.7989	1.0961	2.1738	3.2996	2.1952	3.9005
C7	1.4769	2.5319	2.7992	3.4904	2.9158	1.5427		2.4141	3.9029	2.1733	3.3117	2.1571	1.1021	2.6610	1.0933	3.3303
C8	1.4769	2.5319	2.7992	3.4904	1.5427	2.9158	2.4141		2.1733	3.9029	2.1571	3.3117	2.6610	1.1021	3.3303	1.0933
H9	3.4308	2.1965	2.4994	2.5576	1.0970	3.4990	3.9029	2.1733		4.3533	1.7815	3.8157	4.0994	2.4954	4.9323	2.5461
H10	3.4308	2.1965	2.4994	2.5576	3.4990	1.0970	2.1733	3.9029	4.3533		3.8157	1.7815	2.4954	4.0994	2.5461	4.9323
H11	2.7255	2.1752	3.0753	2.5032	1.0961	2.7989	3.3117	2.1571	1.7815	3.8157		2.6155	3.9708	3.0679	4.1134	2.4898
H12	2.7255	2.1752	3.0753	2.5032	2.7989	1.0961	2.1571	3.3117	3.8157	1.7815	2.6155		3.0679	3.9708	2.4898	4.1134
H13	2.1268	2.7890	2.6052	3.8024	3.2996	2.1738	1.1021	2.6610	4.0994	2.4954	3.9708	3.0679		2.4299	1.7900	3.6283
H14	2.1268	2.7890	2.6052	3.8024	2.1738	3.2996	2.6610	1.1021	2.4954	4.0994	3.0679	3.9708	2.4299		3.6283	1.7900
H15	2.0563	3.4974	3.8149	4.3482	3.9005	2.1952	1.0933	3.3303	4.9323	2.5461	4.1134	2.4898	1.7900	3.6283		4.0992
H16	2.0563	3.4974	3.8149	4.3482	2.1952	3.9005	3.3303	1.0933	2.5461	4.9323	2.4898	4.1134	3.6283	1.7900	4.0992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	110.913	O1	C7	H13	110.263
O1	C7	H15	105.293	O1	C8	C5	110.913
O1	C8	H14	110.263	O1	C8	H16	105.293
C2	C5	C8	109.820	C2	C5	H9	110.891
C2	C5	H11	109.273	C2	C6	C7	109.820
C2	C6	H10	110.891	C2	C6	H12	109.273
H3	C2	H4	107.958	H3	C2	C5	109.057
H3	C2	C6	109.057	H4	C2	C5	110.559
H4	C2	C6	110.559	C5	C2	C6	109.607
C5	C8	H14	109.421	C5	C8	H16	111.637
C6	C7	H13	109.421	C6	C7	H15	111.637
C7	O1	C8	109.626	C7	C6	H10	109.683
C7	C6	H12	108.480	C8	C5	H9	109.683
C8	C5	H11	108.480	H9	C5	H11	108.647
H10	C6	H12	108.647	H13	C7	H15	109.245
H14	C8	H16	109.245

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

using model chemistry: MP2/3-21G

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	ESP
1	O	-0.484	-0.424
2	C	-0.369	-0.020
3	H	0.180	0.034
4	H	0.191	0.015
5	C	-0.398	-0.085
6	C	-0.398	-0.085
7	C	-0.105	0.115
8	C	-0.105	0.115
9	H	0.183	0.019
10	H	0.183	0.019
11	H	0.198	0.059
12	H	0.198	0.059
13	H	0.164	0.031
14	H	0.164	0.031
15	H	0.199	0.059
16	H	0.199	0.059

	x	y	z	Total
	-0.489	-1.564	0.000	1.638
CHELPG
AIM
ESP	-0.503	-1.545	0.000	1.625

	x	y	z
x	6.841	-0.087	0.000
y	-0.087	7.199	0.000
z	0.000	0.000	8.333

<r²>	156.094
(<r²>)^1/2	12.494

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

using model chemistry: MP2/3-21G

States and conformations

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