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	hartrees
Energy at 0K	-270.924919
Energy at 298.15K	-270.937918
HF Energy	-270.031761
Nuclear repulsion energy	260.573733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	2992	59.62
2	A'	3188	2986	27.87
3	A'	3175	2973	23.88
4	A'	3124	2926	10.68
5	A'	3112	2915	25.29
6	A'	3060	2866	88.63
7	A'	1564	1465	3.46
8	A'	1546	1448	3.27
9	A'	1537	1439	5.53
10	A'	1461	1368	10.13
11	A'	1424	1333	0.35
12	A'	1355	1269	3.09
13	A'	1320	1237	5.54
14	A'	1215	1137	3.38
15	A'	1079	1011	6.51
16	A'	1051	984	9.74
17	A'	915	857	17.34
18	A'	887	831	5.27
19	A'	854	800	3.35
20	A'	572	535	4.00
21	A'	439	411	1.27
22	A'	417	391	5.33
23	A'	259	242	4.03
24	A"	3192	2989	26.19
25	A"	3183	2981	37.28
26	A"	3124	2926	32.28
27	A"	3056	2862	20.63
28	A"	1549	1450	0.03
29	A"	1527	1430	1.54
30	A"	1431	1340	12.25
31	A"	1426	1335	1.27
32	A"	1388	1300	0.71
33	A"	1335	1250	6.17
34	A"	1260	1180	33.48
35	A"	1219	1141	1.34
36	A"	1165	1091	63.29
37	A"	1096	1026	16.77
38	A"	1010	946	3.28
39	A"	919	861	1.34
40	A"	842	788	0.54
41	A"	463	434	0.01
42	A"	250	234	0.50

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	1.427	0.000
C2	0.071	-1.457	0.000
H3	-0.985	-1.744	0.000
H4	0.651	-2.382	0.000
C5	0.365	-0.630	1.251
C6	0.365	-0.630	-1.251
C7	-0.363	0.704	-1.173
C8	-0.363	0.704	1.173
H9	0.065	-1.165	2.155
H10	0.065	-1.165	-2.155
H11	1.437	-0.436	1.321
H12	1.437	-0.436	-1.321
H13	-1.450	0.537	-1.186
H14	-1.450	0.537	1.186
H15	-0.109	1.350	-2.013
H16	-0.109	1.350	2.013

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8856	3.3207	3.8643	2.4355	2.4355	1.4256	1.4256	3.3719	3.3719	2.6984	2.6984	2.0740	2.0740	2.0173	2.0173
C2	2.8856		1.0946	1.0913	1.5278	1.5278	2.4973	2.4973	2.1749	2.1749	2.1577	2.1577	2.7742	2.7742	3.4589	3.4589
H3	3.3207	1.0946		1.7563	2.1510	2.1510	2.7848	2.7848	2.4665	2.4665	3.0538	3.0538	2.6121	2.6121	3.7935	3.7935
H4	3.8643	1.0913	1.7563		2.1710	2.1710	3.4536	3.4536	2.5433	2.5433	2.4801	2.4801	3.7866	3.7866	4.3073	4.3073
C5	2.4355	1.5278	2.1510	2.1710		2.5014	2.8613	1.5221	1.0925	3.4606	1.0923	2.7932	3.2545	2.1588	3.8466	2.1740
C6	2.4355	1.5278	2.1510	2.1710	2.5014		1.5221	2.8613	3.4606	1.0925	2.7932	1.0923	2.1588	3.2545	2.1740	3.8466
C7	1.4256	2.4973	2.7848	3.4536	2.8613	1.5221		2.3468	3.8414	2.1543	3.2807	2.1360	1.0996	2.6026	1.0894	3.2611
C8	1.4256	2.4973	2.7848	3.4536	1.5221	2.8613	2.3468		2.1543	3.8414	2.1360	3.2807	2.6026	1.0996	3.2611	1.0894
H9	3.3719	2.1749	2.4665	2.5433	1.0925	3.4606	3.8414	2.1543		4.3104	1.7635	3.8077	4.0440	2.4766	4.8711	2.5248
H10	3.3719	2.1749	2.4665	2.5433	3.4606	1.0925	2.1543	3.8414	4.3104		3.8077	1.7635	2.4766	4.0440	2.5248	4.8711
H11	2.6984	2.1577	3.0538	2.4801	1.0923	2.7932	3.2807	2.1360	1.7635	3.8077		2.6422	3.9453	3.0497	4.0857	2.4608
H12	2.6984	2.1577	3.0538	2.4801	2.7932	1.0923	2.1360	3.2807	3.8077	1.7635	2.6422		3.0497	3.9453	2.4608	4.0857
H13	2.0740	2.7742	2.6121	3.7866	3.2545	2.1588	1.0996	2.6026	4.0440	2.4766	3.9453	3.0497		2.3711	1.7735	3.5624
H14	2.0740	2.7742	2.6121	3.7866	2.1588	3.2545	2.6026	1.0996	2.4766	4.0440	3.0497	3.9453	2.3711		3.5624	1.7735
H15	2.0173	3.4589	3.7935	4.3073	3.8466	2.1740	1.0894	3.2611	4.8711	2.5248	4.0857	2.4608	1.7735	3.5624		4.0259
H16	2.0173	3.4589	3.7935	4.3073	2.1740	3.8466	3.2611	1.0894	2.5248	4.8711	2.4608	4.0857	3.5624	1.7735	4.0259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.392	O1	C7	H13	109.764
O1	C7	H15	105.894	O1	C8	C5	111.392
O1	C8	H14	109.764	O1	C8	H16	105.894
C2	C5	C8	109.934	C2	C5	H9	111.111
C2	C5	H11	109.757	C2	C6	C7	109.934
C2	C6	H10	111.111	C2	C6	H12	109.757
H3	C2	H4	106.929	H3	C2	C5	109.098
H3	C2	C6	109.098	H4	C2	C5	110.875
H4	C2	C6	110.875	C5	C2	C6	109.891
C5	C8	H14	109.818	C5	C8	H16	111.634
C6	C7	H13	109.818	C6	C7	H15	111.634
C7	O1	C8	110.793	C7	C6	H10	109.873
C7	C6	H12	108.461	C8	C5	H9	109.873
C8	C5	H11	108.461	H9	C5	H11	107.639
H10	C6	H12	107.639	H13	C7	H15	108.222
H14	C8	H16	108.222

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

using model chemistry: MP2/6-31G**

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

using model chemistry: MP2/6-31G**

States and conformations

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