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	hartrees
Energy at 0K	-270.048592
Energy at 298.15K	-270.061822
Nuclear repulsion energy	261.615992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	2928	53.83
2	A'	3216	2912	90.02
3	A'	3204	2901	58.94
4	A'	3166	2867	13.16
5	A'	3152	2854	32.18
6	A'	3121	2826	99.12
7	A'	1644	1489	2.13
8	A'	1621	1468	3.52
9	A'	1606	1454	3.83
10	A'	1559	1412	14.50
11	A'	1508	1365	0.24
12	A'	1444	1308	6.32
13	A'	1386	1255	5.92
14	A'	1287	1165	3.93
15	A'	1140	1032	7.96
16	A'	1095	991	15.61
17	A'	962	871	19.85
18	A'	931	843	3.79
19	A'	879	796	1.24
20	A'	607	550	4.58
21	A'	466	422	1.79
22	A'	422	382	5.18
23	A'	263	238	4.20
24	A"	3230	2924	73.22
25	A"	3207	2904	51.78
26	A"	3165	2866	34.14
27	A"	3111	2817	17.44
28	A"	1628	1474	0.00
29	A"	1599	1448	1.20
30	A"	1522	1378	14.01
31	A"	1506	1364	0.42
32	A"	1471	1332	0.35
33	A"	1407	1274	16.57
34	A"	1347	1220	69.73
35	A"	1291	1169	0.70
36	A"	1240	1123	80.26
37	A"	1129	1022	5.27
38	A"	1058	958	2.56
39	A"	941	852	1.32
40	A"	886	802	1.03
41	A"	496	449	0.00
42	A"	251	228	0.39

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	1.403	0.000
C2	0.054	-1.460	0.000
H3	-0.997	-1.747	0.000
H4	0.631	-2.381	0.000
C5	0.353	-0.633	1.253
C6	0.353	-0.633	-1.253
C7	-0.344	0.720	-1.170
C8	-0.344	0.720	1.170
H9	0.033	-1.157	2.151
H10	0.033	-1.157	-2.151
H11	1.425	-0.469	1.337
H12	1.425	-0.469	-1.337
H13	-1.428	0.583	-1.214
H14	-1.428	0.583	1.214
H15	-0.059	1.358	-1.998
H16	-0.059	1.358	1.998

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8635	3.3041	3.8355	2.4169	2.4169	1.3973	1.3973	3.3434	3.3434	2.7060	2.7060	2.0457	2.0457	1.9989	1.9989
C2	2.8635		1.0895	1.0860	1.5309	1.5309	2.5059	2.5059	2.1720	2.1720	2.1559	2.1559	2.8007	2.8007	3.4563	3.4563
H3	3.3041	1.0895		1.7464	2.1525	2.1525	2.8073	2.8073	2.4564	2.4564	3.0472	3.0472	2.6626	2.6626	3.8097	3.8097
H4	3.8355	1.0860	1.7464		2.1680	2.1680	3.4542	3.4542	2.5456	2.5456	2.4638	2.4638	3.8069	3.8069	4.2946	4.2946
C5	2.4169	1.5309	2.1525	2.1680		2.5066	2.8614	1.5247	1.0871	3.4588	1.0878	2.8081	3.2769	2.1566	3.8345	2.1656
C6	2.4169	1.5309	2.1525	2.1680	2.5066		1.5247	2.8614	3.4588	1.0871	2.8081	1.0878	2.1566	3.2769	2.1656	3.8345
C7	1.3973	2.5059	2.8073	3.4542	2.8614	1.5247		2.3390	3.8325	2.1512	3.2904	2.1385	1.0928	2.6219	1.0837	3.2433
C8	1.3973	2.5059	2.8073	3.4542	1.5247	2.8614	2.3390		2.1512	3.8325	2.1385	3.2904	2.6219	1.0928	3.2433	1.0837
H9	3.3434	2.1720	2.4564	2.5456	1.0871	3.4588	3.8325	2.1512		4.3013	1.7531	3.8175	4.0597	2.4568	4.8519	2.5214
H10	3.3434	2.1720	2.4564	2.5456	3.4588	1.0871	2.1512	3.8325	4.3013		3.8175	1.7531	2.4568	4.0597	2.5214	4.8519
H11	2.7060	2.1559	3.0472	2.4638	1.0878	2.8081	3.2904	2.1385	1.7531	3.8175		2.6737	3.9689	3.0429	4.0816	2.4450
H12	2.7060	2.1559	3.0472	2.4638	2.8081	1.0878	2.1385	3.2904	3.8175	1.7531	2.6737		3.0429	3.9689	2.4450	4.0816
H13	2.0457	2.8007	2.6626	3.8069	3.2769	2.1566	1.0928	2.6219	4.0597	2.4568	3.9689	3.0429		2.4285	1.7574	3.5763
H14	2.0457	2.8007	2.6626	3.8069	2.1566	3.2769	2.6219	1.0928	2.4568	4.0597	3.0429	3.9689	2.4285		3.5763	1.7574
H15	1.9989	3.4563	3.8097	4.2946	3.8345	2.1656	1.0837	3.2433	4.8519	2.5214	4.0816	2.4450	1.7574	3.5763		3.9950
H16	1.9989	3.4563	3.8097	4.2946	2.1656	3.8345	3.2433	1.0837	2.5214	4.8519	2.4450	4.0816	3.5763	1.7574	3.9950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.534	O1	C7	H13	109.869
O1	C7	H15	106.666	O1	C8	C5	111.534
O1	C8	H14	109.869	O1	C8	H16	106.666
C2	C5	C8	110.191	C2	C5	H9	110.993
C2	C5	H11	109.672	C2	C6	C7	110.191
C2	C6	H10	110.993	C2	C6	H12	109.672
H3	C2	H4	106.787	H3	C2	C5	109.303
H3	C2	C6	109.303	H4	C2	C5	110.737
H4	C2	C6	110.737	C5	C2	C6	109.907
C5	C8	H14	109.853	C5	C8	H16	111.116
C6	C7	H13	109.853	C6	C7	H15	111.116
C7	O1	C8	113.640	C7	C6	H10	109.764
C7	C6	H12	108.726	C8	C5	H9	109.764
C8	C5	H11	108.726	H9	C5	H11	107.425
H10	C6	H12	107.425	H13	C7	H15	107.687
H14	C8	H16	107.687

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

using model chemistry: HF/6-31G(2df,p)

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	O	-0.463
2	C	-0.250
3	H	0.118
4	H	0.126
5	C	-0.251
6	C	-0.251
7	C	-0.001
8	C	-0.001
9	H	0.121
10	H	0.121
11	H	0.128
12	H	0.128
13	H	0.103
14	H	0.103
15	H	0.134
16	H	0.134

	x	y	z	Total
	-0.410	-1.384	0.000	1.444
CHELPG
AIM
ESP

	x	y	z
x	7.284	-0.174	0.000
y	-0.174	7.712	0.000
z	0.000	0.000	8.561

<r²>	151.108
(<r²>)^1/2	12.293

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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