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	hartrees
Energy at 0K	-270.076984
Energy at 298.15K	-270.088938
Nuclear repulsion energy	258.632069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	2920	97.57
2	A'	3214	2920	55.40
3	A'	3200	2907	41.30
4	A'	3171	2881	1.70
5	A'	3149	2861	30.70
6	A'	3143	2856	26.04
7	A'	1667	1515	2.53
8	A'	1621	1473	4.42
9	A'	1606	1459	3.03
10	A'	1548	1407	3.66
11	A'	1531	1391	5.80
12	A'	1521	1382	1.04
13	A'	1402	1274	1.19
14	A'	1374	1248	10.73
15	A'	1278	1161	2.59
16	A'	1120	1018	24.47
17	A'	1061	964	15.10
18	A'	1044	949	1.46
19	A'	996	905	0.36
20	A'	929	844	14.89
21	A'	683	621	0.28
22	A'	436	396	0.06
23	A'	365	332	0.06
24	A'	27	25	7.45
25	A"	3205	2912	88.19
26	A"	3202	2909	0.00
27	A"	3195	2903	0.00
28	A"	3158	2870	153.69
29	A"	1647	1496	2.12
30	A"	1622	1474	7.95
31	A"	1604	1457	0.00
32	A"	1439	1307	0.01
33	A"	1329	1208	0.12
34	A"	1267	1151	0.00
35	A"	1161	1055	112.53
36	A"	1151	1046	0.00
37	A"	1013	920	0.00
38	A"	954	866	1.63
39	A"	419	381	1.15
40	A"	339	308	0.00
41	A"	280	255	0.21
42	A"	239	217	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	1.258	-1.252	0.000
H2	1.292	-1.891	0.877
H3	1.292	-1.891	-0.877
H4	2.152	-0.638	0.000
C5	-1.258	-1.253	0.000
H6	-2.152	-0.640	0.000
H7	-1.291	-1.892	-0.877
H8	-1.291	-1.892	0.877
C9	0.000	-0.396	0.000
C10	-0.000	0.757	1.025
C11	-0.000	0.757	-1.025
H12	-0.883	0.829	1.651
H13	-0.883	0.829	-1.651
H14	0.883	0.829	1.651
H15	0.883	0.829	-1.651
O16	-0.000	1.731	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	C10	C11	H12	H13	H14	H15	O16
C1		1.0853	1.0853	1.0839	2.5163	3.4648	2.7708	2.7708	1.5220	2.5828	2.5828	3.4120	3.4120	2.6829	2.6829	3.2373
H2	1.0853		1.7531	1.7541	2.7708	3.7675	3.1218	2.5830	2.1616	2.9500	3.5069	3.5678	4.3031	2.8578	3.7356	3.9439
H3	1.0853	1.7531		1.7541	2.7708	3.7675	2.5830	3.1218	2.1616	3.5069	2.9500	4.3031	3.5678	3.7356	2.8578	3.9439
H4	1.0839	1.7541	1.7541		3.4648	4.3039	3.7675	3.7675	2.1656	2.7624	2.7624	3.7538	3.7538	2.5477	2.5477	3.2008
C5	2.5163	2.7708	2.7708	3.4648		1.0839	1.0853	1.0853	1.5220	2.5829	2.5829	2.6829	2.6829	3.4120	3.4120	3.2376
H6	3.4648	3.7675	3.7675	4.3039	1.0839		1.7541	1.7541	2.1656	2.7624	2.7624	2.5477	2.5477	3.7538	3.7538	3.2013
H7	2.7708	3.1218	2.5830	3.7675	1.0853	1.7541		1.7531	2.1616	3.5069	2.9501	3.7356	2.8579	4.3031	3.5677	3.9441
H8	2.7708	2.5830	3.1218	3.7675	1.0853	1.7541	1.7531		2.1616	2.9501	3.5069	2.8579	3.7356	3.5677	4.3031	3.9441
C9	1.5220	2.1616	2.1616	2.1656	1.5220	2.1656	2.1616	2.1616		1.5428	1.5428	2.2372	2.2372	2.2372	2.2372	2.1266
C10	2.5828	2.9500	3.5069	2.7624	2.5829	2.7624	3.5069	2.9501	1.5428		2.0509	1.0843	2.8188	1.0843	2.8190	1.4142
C11	2.5828	3.5069	2.9500	2.7624	2.5829	2.7624	2.9501	3.5069	1.5428	2.0509		2.8188	1.0843	2.8190	1.0843	1.4142
H12	3.4120	3.5678	4.3031	3.7538	2.6829	2.5477	3.7356	2.8579	2.2372	1.0843	2.8188		3.3010	1.7659	3.7439	2.0777
H13	3.4120	4.3031	3.5678	3.7538	2.6829	2.5477	2.8579	3.7356	2.2372	2.8188	1.0843	3.3010		3.7439	1.7659	2.0777
H14	2.6829	2.8578	3.7356	2.5477	3.4120	3.7538	4.3031	3.5677	2.2372	1.0843	2.8190	1.7659	3.7439		3.3016	2.0777
H15	2.6829	3.7356	2.8578	2.5477	3.4120	3.7538	3.5677	4.3031	2.2372	2.8190	1.0843	3.7439	1.7659	3.3016		2.0777
O16	3.2373	3.9439	3.9439	3.2008	3.2376	3.2013	3.9441	3.9441	2.1266	1.4142	1.4142	2.0777	2.0777	2.0777	2.0777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	C5	111.515	C1	C9	C10	114.859
C1	C9	C11	114.859	H2	C1	H3	107.741
H2	C1	H4	107.926	H2	C1	C9	110.898
H3	C1	H4	107.926	H3	C1	C9	110.898
H4	C1	C9	111.304	C5	C9	C10	114.863
C5	C9	C11	114.863	H6	C5	H7	107.926
H6	C5	H8	107.926	H6	C5	C9	111.304
H7	C5	H8	107.740	H7	C5	C9	110.898
H8	C5	C9	110.898	C9	C10	H12	115.664
C9	C10	H14	115.667	C9	C10	O16	91.867
C9	C11	H13	115.664	C9	C11	H15	115.667
C9	C11	O16	91.867	C10	C9	C11	83.312
C10	O16	C11	92.954	H12	C10	H14	109.036
H12	C10	O16	111.846	H13	C11	H15	109.036
H13	C11	O16	111.846	H14	C10	O16	111.847
H15	C11	O16	111.847

All results from a given calculation for C₅H₁₀O (Oxetane, 3,3-dimethyl-)

using model chemistry: HF/6-311+G(3df,2p)

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	C	-0.361
2	H	0.127
3	H	0.127
4	H	0.130
5	C	-0.361
6	H	0.130
7	H	0.127
8	H	0.127
9	C	-0.595
10	C	0.539
11	C	0.539
12	H	0.104
13	H	0.104
14	H	0.104
15	H	0.104
16	O	-0.945

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C5H10O (Oxetane, 3,3-dimethyl-)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₅H₁₀O (Oxetane, 3,3-dimethyl-)