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	hartrees
Energy at 0K	-270.856968
Energy at 298.15K	-270.868794
HF Energy	-269.980688
Nuclear repulsion energy	257.171681

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	2983	24.53
2	A'	3175	2980	27.62
3	A'	3143	2950	59.82
4	A'	3095	2905	15.10
5	A'	3090	2901	20.88
6	A'	3084	2894	26.72
7	A'	1597	1499	1.28
8	A'	1564	1468	4.57
9	A'	1550	1455	3.65
10	A'	1479	1388	3.87
11	A'	1465	1375	9.93
12	A'	1433	1345	0.36
13	A'	1350	1267	0.07
14	A'	1320	1239	8.38
15	A'	1204	1130	1.87
16	A'	1060	995	4.77
17	A'	1025	962	6.17
18	A'	990	929	3.55
19	A'	966	906	12.12
20	A'	866	813	10.00
21	A'	660	620	0.63
22	A'	415	390	0.11
23	A'	351	330	0.11
24	A'	112	105	6.81
25	A"	3171	2976	45.45
26	A"	3167	2972	0.54
27	A"	3141	2948	14.52
28	A"	3076	2887	84.27
29	A"	1577	1481	6.59
30	A"	1561	1465	4.57
31	A"	1547	1452	0.13
32	A"	1340	1258	3.16
33	A"	1280	1201	0.00
34	A"	1183	1111	0.15
35	A"	1093	1026	0.36
36	A"	1078	1012	73.11
37	A"	972	912	0.00
38	A"	918	862	2.98
39	A"	397	373	0.73
40	A"	316	297	0.39
41	A"	282	265	0.04
42	A"	227	213	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-1.272	1.325	0.000
H2	-1.266	1.971	0.885
H3	-1.266	1.971	-0.885
H4	-2.207	0.756	0.000
C5	1.250	1.173	0.000
H6	2.100	0.483	0.000
H7	1.325	1.812	-0.887
H8	1.325	1.812	0.887
C9	-0.065	0.398	0.000
C10	-0.065	-0.755	1.027
C11	-0.065	-0.755	-1.027
H12	0.696	-0.726	1.815
H13	0.696	-0.726	-1.815
H14	-1.048	-0.951	1.476
H15	-1.048	-0.951	-1.476
O16	0.250	-1.721	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	C10	C11	H12	H13	H14	H15	O16
C1		1.0958	1.0958	1.0948	2.5265	3.4754	2.7867	2.7867	1.5217	2.6150	2.6150	3.3731	3.3731	2.7224	2.7224	3.4055
H2	1.0958		1.7701	1.7739	2.7837	3.7849	3.1424	2.5951	2.1676	2.9820	3.5397	3.4629	4.2914	2.9895	3.7635	4.0885
H3	1.0958	1.7701		1.7739	2.7837	3.7849	2.5951	3.1424	2.1676	3.5397	2.9820	4.2914	3.4629	3.7635	2.9895	4.0885
H4	1.0948	1.7739	1.7739		3.4821	4.3156	3.7914	3.7914	2.1717	2.8153	2.8153	3.7313	3.7313	2.5371	2.5371	3.4891
C5	2.5265	2.7837	2.7837	3.4821		1.0947	1.0957	1.0957	1.5261	2.5494	2.5494	2.6845	2.6845	3.4600	3.4600	3.0621
H6	3.4754	3.7849	3.7849	4.3156	1.0947		1.7759	1.7759	2.1666	2.6969	2.6969	2.5932	2.5932	3.7610	3.7610	2.8776
H7	2.7867	3.1424	2.5951	3.7914	1.0957	1.7759		1.7739	2.1715	3.4903	2.9219	3.7598	2.7744	4.3415	3.6892	3.7980
H8	2.7867	2.5951	3.1424	3.7914	1.0957	1.7759	1.7739		2.1715	2.9219	3.4903	2.7744	3.7598	3.6892	4.3415	3.7980
C9	1.5217	2.1676	2.1676	2.1717	1.5261	2.1666	2.1715	2.1715		1.5444	1.5444	2.2669	2.2669	2.2287	2.2287	2.1430
C10	2.6150	2.9820	3.5397	2.8153	2.5494	2.6969	3.4903	2.9219	1.5444		2.0547	1.0959	2.9426	1.0985	2.6971	1.4454
C11	2.6150	3.5397	2.9820	2.8153	2.5494	2.6969	2.9219	3.4903	1.5444	2.0547		2.9426	1.0959	2.6971	1.0985	1.4454
H12	3.3731	3.4629	4.2914	3.7313	2.6845	2.5932	3.7598	2.7744	2.2669	1.0959	2.9426		3.6296	1.7914	3.7319	2.1173
H13	3.3731	4.2914	3.4629	3.7313	2.6845	2.5932	2.7744	3.7598	2.2669	2.9426	1.0959	3.6296		3.7319	1.7914	2.1173
H14	2.7224	2.9895	3.7635	2.5371	3.4600	3.7610	4.3415	3.6892	2.2287	1.0985	2.6971	1.7914	3.7319		2.9529	2.1114
H15	2.7224	3.7635	2.9895	2.5371	3.4600	3.7610	3.6892	4.3415	2.2287	2.6971	1.0985	3.7319	1.7914	2.9529		2.1114
O16	3.4055	4.0885	4.0885	3.4891	3.0621	2.8776	3.7980	3.7980	2.1430	1.4454	1.4454	2.1173	2.1173	2.1114	2.1114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	C5	111.984	C1	C9	C10	117.053
C1	C9	C11	117.053	H2	C1	H3	107.743
H2	C1	H4	108.149	H2	C1	C9	110.764
H3	C1	H4	108.149	H3	C1	C9	110.764
H4	C1	C9	111.146	C5	C9	C10	112.260
C5	C9	C11	112.260	H6	C5	H7	108.339
H6	C5	H8	108.339	H6	C5	C9	110.436
H7	C5	H8	108.093	H7	C5	C9	110.772
H8	C5	C9	110.772	C9	C10	H12	117.307
C9	C10	H14	113.915	C9	C10	O16	91.520
C9	C11	H13	117.307	C9	C11	H15	113.915
C9	C11	O16	91.520	C10	C9	C11	83.401
C10	O16	C11	90.598	H12	C10	H14	109.441
H12	C10	O16	112.124	H13	C11	H15	109.441
H13	C11	O16	112.124	H14	C10	O16	111.468
H15	C11	O16	111.468

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

using model chemistry: MP3/6-31G*

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 (Oxetane, 3,3-dimethyl-)

using model chemistry: MP3/6-31G*

States and conformations

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