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	hartrees
Energy at 0K	-271.792259
Energy at 298.15K	-271.805119
Nuclear repulsion energy	259.657852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3082	2974	54.37
2	A'	3076	2968	42.59
3	A'	3065	2958	41.73
4	A'	3027	2921	16.13
5	A'	3012	2907	23.61
6	A'	2947	2844	97.13
7	A'	1508	1455	2.81
8	A'	1492	1440	3.98
9	A'	1482	1430	5.04
10	A'	1425	1375	9.55
11	A'	1379	1331	0.32
12	A'	1329	1282	4.11
13	A'	1283	1238	6.01
14	A'	1180	1138	3.02
15	A'	1053	1017	6.15
16	A'	1018	982	10.98
17	A'	888	857	18.81
18	A'	862	832	3.51
19	A'	827	798	1.87
20	A'	562	542	3.10
21	A'	438	422	1.39
22	A'	398	384	4.06
23	A'	245	236	2.87
24	A"	3078	2971	41.96
25	A"	3070	2963	48.15
26	A"	3026	2920	26.56
27	A"	2940	2837	20.82
28	A"	1493	1440	0.18
29	A"	1472	1421	0.88
30	A"	1398	1349	10.13
31	A"	1375	1327	0.54
32	A"	1356	1309	0.26
33	A"	1302	1256	8.31
34	A"	1224	1181	40.51
35	A"	1192	1150	0.36
36	A"	1117	1077	74.71
37	A"	1061	1024	9.97
38	A"	983	948	2.43
39	A"	884	853	0.78
40	A"	820	791	0.72
41	A"	464	448	0.01
42	A"	238	230	0.37

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	1.426	0.000
C2	0.060	-1.467	0.000
H3	-1.001	-1.755	0.000
H4	0.637	-2.397	0.000
C5	0.358	-0.638	1.258
C6	0.358	-0.638	-1.258
C7	-0.350	0.717	-1.176
C8	-0.350	0.717	1.176
H9	0.040	-1.167	2.164
H10	0.040	-1.167	-2.164
H11	1.438	-0.466	1.342
H12	1.438	-0.466	-1.342
H13	-1.445	0.567	-1.213
H14	-1.445	0.567	1.213
H15	-0.074	1.363	-2.015
H16	-0.074	1.363	2.015

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8934	3.3347	3.8759	2.4436	2.4436	1.4176	1.4176	3.3779	3.3779	2.7288	2.7288	2.0727	2.0727	2.0178	2.0178
C2	2.8934		1.0990	1.0952	1.5361	1.5361	2.5142	2.5142	2.1852	2.1852	2.1688	2.1688	2.8057	2.8057	3.4766	3.4766
H3	3.3347	1.0990		1.7598	2.1628	2.1628	2.8140	2.8140	2.4729	2.4729	3.0680	3.0680	2.6573	2.6573	3.8266	3.8266
H4	3.8759	1.0952	1.7598		2.1811	2.1811	3.4725	3.4725	2.5603	2.5603	2.4846	2.4846	3.8204	3.8204	4.3251	4.3251
C5	2.4436	1.5361	2.1628	2.1811		2.5168	2.8750	1.5309	1.0962	3.4781	1.0971	2.8212	3.2878	2.1687	3.8610	2.1824
C6	2.4436	1.5361	2.1628	2.1811	2.5168		1.5309	2.8750	3.4781	1.0962	2.8212	1.0971	2.1687	3.2878	2.1824	3.8610
C7	1.4176	2.5142	2.8140	3.4725	2.8750	1.5309		2.3530	3.8554	2.1629	3.3075	2.1503	1.1052	2.6325	1.0942	3.2683
C8	1.4176	2.5142	2.8140	3.4725	1.5309	2.8750	2.3530		2.1629	3.8554	2.1503	3.3075	2.6325	1.1052	3.2683	1.0942
H9	3.3779	2.1852	2.4729	2.5603	1.0962	3.4781	3.8554	2.1629		4.3290	1.7669	3.8394	4.0769	2.4736	4.8872	2.5369
H10	3.3779	2.1852	2.4729	2.5603	3.4781	1.0962	2.1629	3.8554	4.3290		3.8394	1.7669	2.4736	4.0769	2.5369	4.8872
H11	2.7288	2.1688	3.0680	2.4846	1.0971	2.8212	3.3075	2.1503	1.7669	3.8394		2.6840	3.9881	3.0649	4.1112	2.4663
H12	2.7288	2.1688	3.0680	2.4846	2.8212	1.0971	2.1503	3.3075	3.8394	1.7669	2.6840		3.0649	3.9881	2.4663	4.1112
H13	2.0727	2.8057	2.6573	3.8204	3.2878	2.1687	1.1052	2.6325	4.0769	2.4736	3.9881	3.0649		2.4261	1.7765	3.5965
H14	2.0727	2.8057	2.6573	3.8204	2.1687	3.2878	2.6325	1.1052	2.4736	4.0769	3.0649	3.9881	2.4261		3.5965	1.7765
H15	2.0178	3.4766	3.8266	4.3251	3.8610	2.1824	1.0942	3.2683	4.8872	2.5369	4.1112	2.4663	1.7765	3.5965		4.0308
H16	2.0178	3.4766	3.8266	4.3251	2.1824	3.8610	3.2683	1.0942	2.5369	4.8872	2.4663	4.1112	3.5965	1.7765	4.0308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.884	O1	C7	H13	109.871
O1	C7	H15	106.182	O1	C8	C5	111.884
O1	C8	H14	109.871	O1	C8	H16	106.182
C2	C5	C8	110.119	C2	C5	H9	111.130
C2	C5	H11	109.772	C2	C6	C7	110.119
C2	C6	H10	111.130	C2	C6	H12	109.772
H3	C2	H4	106.641	H3	C2	C5	109.195
H3	C2	C6	109.195	H4	C2	C5	110.856
H4	C2	C6	110.856	C5	C2	C6	110.016
C5	C8	H14	109.652	C5	C8	H16	111.382
C6	C7	H13	109.652	C6	C7	H15	111.382
C7	O1	C8	112.186	C7	C6	H10	109.725
C7	C6	H12	108.688	C8	C5	H9	109.725
C8	C5	H11	108.688	H9	C5	H11	107.334
H10	C6	H12	107.334	H13	C7	H15	107.739
H14	C8	H16	107.739

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

using model chemistry: B3LYP/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	-0.243
2	C	-0.192
3	H	0.094
4	H	0.094
5	C	-0.192
6	C	-0.192
7	C	-0.060
8	C	-0.060
9	H	0.091
10	H	0.091
11	H	0.102
12	H	0.102
13	H	0.080
14	H	0.080
15	H	0.103
16	H	0.103

	x	y	z	Total
	-0.310	-1.279	0.000	1.316
CHELPG
AIM
ESP

	x	y	z
x	7.642	-0.212	0.000
y	-0.212	8.191	0.000
z	0.000	0.000	9.177

<r²>	152.718
(<r²>)^1/2	12.358

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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