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	hartrees
Energy at 0K	-270.159996
Energy at 298.15K	-270.172860
HF Energy	-270.159996
Nuclear repulsion energy	257.962623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3133	2967	52.41
2	A'	3118	2953	12.78
3	A'	3106	2942	2.39
4	A'	3073	2911	20.62
5	A'	3062	2900	5.30
6	A'	3016	2857	68.18
7	A'	1557	1475	10.51
8	A'	1543	1462	4.01
9	A'	1533	1452	13.03
10	A'	1443	1366	0.12
11	A'	1411	1337	4.40
12	A'	1333	1263	0.88
13	A'	1323	1254	5.21
14	A'	1189	1127	2.12
15	A'	1070	1013	6.23
16	A'	1029	975	8.23
17	A'	889	842	16.58
18	A'	882	836	7.04
19	A'	830	786	1.90
20	A'	550	521	4.96
21	A'	435	412	2.31
22	A'	392	371	6.39
23	A'	254	240	5.62
24	A"	3121	2956	0.95
25	A"	3112	2948	33.39
26	A"	3066	2904	22.89
27	A"	3012	2853	12.42
28	A"	1541	1460	0.20
29	A"	1519	1439	4.37
30	A"	1412	1337	0.17
31	A"	1409	1334	0.79
32	A"	1396	1322	11.18
33	A"	1333	1262	3.61
34	A"	1250	1184	21.44
35	A"	1214	1150	6.76
36	A"	1124	1065	55.03
37	A"	1091	1034	9.76
38	A"	1015	961	3.61
39	A"	889	842	0.24
40	A"	828	784	0.00
41	A"	456	432	0.09
42	A"	225	213	0.88

Atom	x (Å)	y (Å)	z (Å)
O1	-0.702	-1.265	0.000
C2	0.668	1.307	0.000
H3	1.724	1.003	0.000
H4	0.632	2.401	0.000
C5	-0.021	0.740	1.260
C6	-0.021	0.740	-1.260
C7	-0.021	-0.795	-1.198
C8	-0.021	-0.795	1.198
H9	0.489	1.073	2.170
H10	0.489	1.073	-2.170
H11	-1.060	1.087	1.293
H12	-1.060	1.087	-1.293
H13	1.018	-1.159	-1.209
H14	1.018	-1.159	1.209
H15	-0.564	-1.233	-2.039
H16	-0.564	-1.233	2.039

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.9142	3.3211	3.9012	2.4637	2.4637	1.4554	1.4554	3.4047	3.4047	2.7077	2.7077	2.1057	2.1057	2.0435	2.0435
C2	2.9142		1.0988	1.0945	1.5441	1.5441	2.5158	2.5158	2.1897	2.1897	2.1692	2.1692	2.7686	2.7686	3.4819	3.4819
H3	3.3211	1.0988		1.7737	2.1685	2.1685	2.7775	2.7775	2.4973	2.4973	3.0705	3.0705	2.5754	2.5754	3.7930	3.7930
H4	3.9012	1.0945	1.7737		2.1849	2.1849	3.4753	3.4753	2.5481	2.5481	2.5021	2.5021	3.7792	3.7792	4.3348	4.3348
C5	2.4637	1.5441	2.1685	2.1849		2.5198	2.8975	1.5364	1.0953	3.4834	1.0956	2.7776	3.2836	2.1652	3.8814	2.1890
C6	2.4637	1.5441	2.1685	2.1849	2.5198		1.5364	2.8975	3.4834	1.0953	2.7776	1.0956	2.1652	3.2836	2.1890	3.8814
C7	1.4554	2.5158	2.7775	3.4753	2.8975	1.5364		2.3951	3.8845	2.1669	3.2900	2.1521	1.1016	2.6468	1.0920	3.3102
C8	1.4554	2.5158	2.7775	3.4753	1.5364	2.8975	2.3951		2.1669	3.8845	2.1521	3.2900	2.6468	1.1016	3.3102	1.0920
H9	3.4047	2.1897	2.4973	2.5481	1.0953	3.4834	3.8845	2.1669		4.3396	1.7804	3.7934	4.0836	2.4863	4.9126	2.5380
H10	3.4047	2.1897	2.4973	2.5481	3.4834	1.0953	2.1669	3.8845	4.3396		3.7934	1.7804	2.4863	4.0836	2.5380	4.9126
H11	2.7077	2.1692	3.0705	2.5021	1.0956	2.7776	3.2900	2.1521	1.7804	3.7934		2.5855	3.9526	3.0612	4.0898	2.4870
H12	2.7077	2.1692	3.0705	2.5021	2.7776	1.0956	2.1521	3.2900	3.7934	1.7804	2.5855		3.0612	3.9526	2.4870	4.0898
H13	2.1057	2.7686	2.5754	3.7792	3.2836	2.1652	1.1016	2.6468	4.0836	2.4863	3.9526	3.0612		2.4183	1.7877	3.6132
H14	2.1057	2.7686	2.5754	3.7792	2.1652	3.2836	2.6468	1.1016	2.4863	4.0836	3.0612	3.9526	2.4183		3.6132	1.7877
H15	2.0435	3.4819	3.7930	4.3348	3.8814	2.1890	1.0920	3.3102	4.9126	2.5380	4.0898	2.4870	1.7877	3.6132		4.0770
H16	2.0435	3.4819	3.7930	4.3348	2.1890	3.8814	3.3102	1.0920	2.5380	4.9126	2.4870	4.0898	3.6132	1.7877	4.0770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	110.844	O1	C7	H13	110.106
O1	C7	H15	105.793	O1	C8	C5	110.844
O1	C8	H14	110.106	O1	C8	H16	105.793
C2	C5	C8	109.509	C2	C5	H9	110.978
C2	C5	H11	109.344	C2	C6	C7	109.509
C2	C6	H10	110.978	C2	C6	H12	109.344
H3	C2	H4	107.936	H3	C2	C5	109.109
H3	C2	C6	109.109	H4	C2	C5	110.645
H4	C2	C6	110.645	C5	C2	C6	109.358
C5	C8	H14	109.218	C5	C8	H16	111.663
C6	C7	H13	109.218	C6	C7	H15	111.663
C7	O1	C8	110.742	C7	C6	H10	109.712
C7	C6	H12	108.541	C8	C5	H9	109.712
C8	C5	H11	108.541	H9	C5	H11	108.714
H10	C6	H12	108.714	H13	C7	H15	109.164
H14	C8	H16	109.164

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

using model chemistry: M06-2X/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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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	-0.507
2	C	-0.398
3	H	0.192
4	H	0.206
5	C	-0.420
6	C	-0.420
7	C	-0.129
8	C	-0.129
9	H	0.198
10	H	0.198
11	H	0.211
12	H	0.211
13	H	0.177
14	H	0.177
15	H	0.216
16	H	0.216

	x	y	z	Total
	1.213	1.172	0.000	1.687
CHELPG
AIM
ESP

	x	y	z
x	6.815	0.099	0.000
y	0.099	7.229	0.000
z	0.000	0.000	8.352

<r²>	154.005
(<r²>)^1/2	12.410

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

using model chemistry: M06-2X/3-21G*

States and conformations

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