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	hartrees
Energy at 0K	-48.951297
Energy at 298.15K	-48.964460
Nuclear repulsion energy	145.599878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3297	2961	91.65
2	A'	3274	2940	166.69
3	A'	3251	2920	68.91
4	A'	3223	2895	14.93
5	A'	3204	2877	53.07
6	A'	3192	2866	138.42
7	A'	1654	1486	2.01
8	A'	1634	1467	3.28
9	A'	1613	1449	4.93
10	A'	1568	1408	23.50
11	A'	1511	1357	0.64
12	A'	1441	1294	5.88
13	A'	1386	1244	6.10
14	A'	1279	1149	4.93
15	A'	1134	1018	12.85
16	A'	1097	985	15.05
17	A'	964	866	24.06
18	A'	921	827	5.06
19	A'	879	789	1.71
20	A'	599	538	5.03
21	A'	458	412	1.66
22	A'	421	378	5.99
23	A'	262	235	5.36
24	A"	3290	2955	83.77
25	A"	3263	2931	56.44
26	A"	3218	2890	92.50
27	A"	3183	2858	24.17
28	A"	1639	1472	0.01
29	A"	1609	1445	2.20
30	A"	1530	1374	21.64
31	A"	1520	1365	1.00
32	A"	1467	1317	0.00
33	A"	1402	1259	15.79
34	A"	1348	1210	72.36
35	A"	1288	1157	0.11
36	A"	1247	1120	85.12
37	A"	1132	1016	7.68
38	A"	1051	944	3.52
39	A"	947	850	1.44
40	A"	879	789	0.57
41	A"	489	439	0.00
42	A"	248	223	0.49

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	1.425	0.000
C2	0.066	-1.466	0.000
H3	-0.989	-1.758	0.000
H4	0.652	-2.386	0.000
C5	0.365	-0.630	1.260
C6	0.365	-0.630	-1.260
C7	-0.350	0.728	-1.176
C8	-0.350	0.728	1.176
H9	0.043	-1.156	2.161
H10	0.043	-1.156	-2.161
H11	1.440	-0.458	1.342
H12	1.440	-0.458	-1.342
H13	-1.436	0.583	-1.209
H14	-1.436	0.583	1.209
H15	-0.071	1.370	-2.008
H16	-0.071	1.370	2.008

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8912	3.3327	3.8662	2.4376	2.4376	1.4108	1.4108	3.3664	3.3664	2.7241	2.7241	2.0570	2.0570	2.0103	2.0103
C2	2.8912		1.0940	1.0913	1.5409	1.5409	2.5234	2.5234	2.1837	2.1837	2.1694	2.1694	2.8136	2.8136	3.4779	3.4779
H3	3.3327	1.0940		1.7567	2.1659	2.1659	2.8234	2.8234	2.4696	2.4696	3.0643	3.0643	2.6729	2.6729	3.8292	3.8292
H4	3.8662	1.0913	1.7567		2.1800	2.1800	3.4762	3.4762	2.5606	2.5606	2.4779	2.4779	3.8263	3.8263	4.3205	4.3205
C5	2.4376	1.5409	2.1659	2.1800		2.5191	2.8787	1.5369	1.0925	3.4761	1.0919	2.8204	3.2878	2.1726	3.8563	2.1800
C6	2.4376	1.5409	2.1659	2.1800	2.5191		1.5369	2.8787	3.4761	1.0925	2.8204	1.0919	2.1726	3.2878	2.1800	3.8563
C7	1.4108	2.5234	2.8234	3.4762	2.8787	1.5369		2.3519	3.8524	2.1620	3.3092	2.1535	1.0967	2.6245	1.0878	3.2604
C8	1.4108	2.5234	2.8234	3.4762	1.5369	2.8787	2.3519		2.1620	3.8524	2.1535	3.3092	2.6245	1.0967	3.2604	1.0878
H9	3.3664	2.1837	2.4696	2.5606	1.0925	3.4761	3.8524	2.1620		4.3229	1.7635	3.8359	4.0708	2.4741	4.8767	2.5334
H10	3.3664	2.1837	2.4696	2.5606	3.4761	1.0925	2.1620	3.8524	4.3229		3.8359	1.7635	2.4741	4.0708	2.5334	4.8767
H11	2.7241	2.1694	3.0643	2.4779	1.0919	2.8204	3.3092	2.1535	1.7635	3.8359		2.6843	3.9832	3.0622	4.1052	2.4638
H12	2.7241	2.1694	3.0643	2.4779	2.8204	1.0919	2.1535	3.3092	3.8359	1.7635	2.6843		3.0622	3.9832	2.4638	4.1052
H13	2.0570	2.8136	2.6729	3.8263	3.2878	2.1726	1.0967	2.6245	4.0708	2.4741	3.9832	3.0622		2.4174	1.7672	3.5823
H14	2.0570	2.8136	2.6729	3.8263	2.1726	3.2878	2.6245	1.0967	2.4741	4.0708	3.0622	3.9832	2.4174		3.5823	1.7672
H15	2.0103	3.4779	3.8292	4.3205	3.8563	2.1800	1.0878	3.2604	4.8767	2.5334	4.1052	2.4638	1.7672	3.5823		4.0167
H16	2.0103	3.4779	3.8292	4.3205	2.1800	3.8563	3.2604	1.0878	2.5334	4.8767	2.4638	4.1052	3.5823	1.7672	4.0167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.500	O1	C7	H13	109.600
O1	C7	H15	106.424	O1	C8	C5	111.500
O1	C8	H14	109.600	O1	C8	H16	106.424
C2	C5	C8	110.146	C2	C5	H9	110.891
C2	C5	H11	109.790	C2	C6	C7	110.146
C2	C6	H10	110.891	C2	C6	H12	109.790
H3	C2	H4	107.002	H3	C2	C5	109.397
H3	C2	C6	109.397	H4	C2	C5	110.672
H4	C2	C6	110.672	C5	C2	C6	109.651
C5	C8	H14	110.040	C5	C8	H16	111.164
C6	C7	H13	110.040	C6	C7	H15	111.164
C7	O1	C8	112.924	C7	C6	H10	109.456
C7	C6	H12	108.830	C8	C5	H9	109.456
C8	C5	H11	108.830	H9	C5	H11	107.669
H10	C6	H12	107.669	H13	C7	H15	107.990
H14	C8	H16	107.990

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

using model chemistry: HF/CEP-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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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	-0.363
2	C	-0.171
3	H	0.075
4	H	0.141
5	C	-0.161
6	C	-0.161
7	C	-0.136
8	C	-0.136
9	H	0.124
10	H	0.124
11	H	0.087
12	H	0.087
13	H	0.074
14	H	0.074
15	H	0.172
16	H	0.172

	x	y	z	Total
	-0.536	-1.670	0.000	1.754
CHELPG
AIM
ESP

	x	y	z
x	6.809	-0.230	0.000
y	-0.230	7.439	0.000
z	0.000	0.000	8.143

<r²>	127.880
(<r²>)^1/2	11.308

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

using model chemistry: HF/CEP-31G*

States and conformations

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