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	hartrees
Energy at 0K	-271.524914
Energy at 298.15K	-271.536295
Nuclear repulsion energy	251.414328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3038	3014	47.66
2	A'	3035	3012	68.41
3	A'	3022	2999	56.16
4	A'	2975	2952	6.15
5	A'	2960	2937	32.51
6	A'	2956	2934	27.09
7	A'	1528	1517	1.02
8	A'	1509	1498	4.34
9	A'	1496	1485	3.54
10	A'	1429	1418	1.89
11	A'	1411	1400	6.03
12	A'	1325	1315	0.43
13	A'	1265	1255	2.48
14	A'	1232	1223	6.99
15	A'	1077	1068	0.02
16	A'	981	973	0.23
17	A'	968	960	1.36
18	A'	906	899	0.08
19	A'	866	859	2.26
20	A'	778	772	12.99
21	A'	611	606	1.03
22	A'	405	402	0.02
23	A'	341	339	0.29
24	A'	41	41	6.28
25	A"	3030	3007	68.03
26	A"	3025	3002	0.00
27	A"	3019	2996	2.27
28	A"	2962	2939	115.86
29	A"	1518	1507	9.62
30	A"	1502	1490	0.54
31	A"	1496	1485	0.00
32	A"	1264	1255	6.31
33	A"	1206	1197	1.71
34	A"	1091	1082	0.01
35	A"	1056	1047	0.03
36	A"	939	932	0.42
37	A"	885	879	40.65
38	A"	850	844	18.49
39	A"	388	385	0.95
40	A"	305	302	0.06
41	A"	255	253	0.04
42	A"	221	219	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.199	1.377	0.000
H2	-1.178	2.029	0.892
H3	-1.178	2.029	-0.892
H4	-2.159	0.832	0.000
C5	1.347	1.164	0.000
H6	2.199	0.463	0.000
H7	1.435	1.809	-0.892
H8	1.435	1.809	0.892
C9	0.000	0.404	0.000
C10	-0.072	-0.742	1.075
C11	-0.072	-0.742	-1.075
H12	0.785	-0.820	1.764
H13	0.785	-0.820	-1.764
H14	-1.017	-0.796	1.642
H15	-1.017	-0.796	-1.642
O16	-0.014	-1.813	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	C10	C11	H12	H13	H14	H15	O16
C1		1.1049	1.1049	1.1037	2.5552	3.5193	2.8146	2.8146	1.5445	2.6300	2.6300	3.4459	3.4459	2.7291	2.7291	3.4027
H2	1.1049		1.7830	1.7864	2.8137	3.8276	3.1710	2.6217	2.1962	2.9894	3.5735	3.5676	4.3612	2.9270	3.7977	4.1120
H3	1.1049	1.7830		1.7864	2.8137	3.8276	2.6217	3.1710	2.1962	3.5735	2.9894	4.3612	3.5676	3.7977	2.9270	4.1120
H4	1.1037	1.7864	1.7864		3.5219	4.3741	3.8300	3.8300	2.2014	2.8268	2.8268	3.8090	3.8090	2.5786	2.5786	3.4055
C5	2.5552	2.8137	2.8137	3.5219		1.1036	1.1047	1.1047	1.5466	2.6081	2.6081	2.7137	2.7137	3.4821	3.4821	3.2730
H6	3.5193	3.8276	3.8276	4.3741	1.1036		1.7870	1.7870	2.1999	2.7867	2.7867	2.5997	2.5997	3.8242	3.8242	3.1742
H7	2.8146	3.1710	2.6217	3.8300	1.1047	1.7870		1.7848	2.1978	3.5568	2.9688	3.7937	2.8450	4.3841	3.6550	4.0017
H8	2.8146	2.6217	3.1710	3.8300	1.1047	1.7870	1.7848		2.1978	2.9688	3.5568	2.8450	3.7937	3.6550	4.3841	4.0017
C9	1.5445	2.1962	2.1962	2.2014	1.5466	2.1999	2.1978	2.1978		1.5729	1.5729	2.2859	2.2859	2.2735	2.2735	2.2165
C10	2.6300	2.9894	3.5735	2.8268	2.6081	2.7867	3.5568	2.9688	1.5729		2.1497	1.1024	2.9667	1.1036	2.8770	1.5180
C11	2.6300	3.5735	2.9894	2.8268	2.6081	2.7867	2.9688	3.5568	1.5729	2.1497		2.9667	1.1024	2.8770	1.1036	1.5180
H12	3.4459	3.5676	4.3612	3.8090	2.7137	2.5997	3.7937	2.8450	2.2859	1.1024	2.9667		3.5289	1.8063	3.8536	2.1765
H13	3.4459	4.3612	3.5676	3.8090	2.7137	2.5997	2.8450	3.7937	2.2859	2.9667	1.1024	3.5289		3.8536	1.8063	2.1765
H14	2.7291	2.9270	3.7977	2.5786	3.4821	3.8242	4.3841	3.6550	2.2735	1.1036	2.8770	1.8063	3.8536		3.2837	2.1765
H15	2.7291	3.7977	2.9270	2.5786	3.4821	3.8242	3.6550	4.3841	2.2735	2.8770	1.1036	3.8536	1.8063	3.2837		2.1765
O16	3.4027	4.1120	4.1120	3.4055	3.2730	3.1742	4.0017	4.0017	2.2165	1.5180	1.5180	2.1765	2.1765	2.1765	2.1765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	C5	111.508	C1	C9	C10	115.057
C1	C9	C11	115.057	H2	C1	H3	107.588
H2	C1	H4	107.968	H2	C1	C9	110.895
H3	C1	H4	107.968	H3	C1	C9	110.895
H4	C1	C9	111.374	C5	C9	C10	113.453
C5	C9	C11	113.453	H6	C5	H7	108.040
H6	C5	H8	108.040	H6	C5	C9	111.113
H7	C5	H8	107.760	H7	C5	C9	110.877
H8	C5	C9	110.877	C9	C10	H12	116.296
C9	C10	H14	115.180	C9	C10	O16	91.613
C9	C11	H13	116.296	C9	C11	H15	115.180
C9	C11	O16	91.613	C10	C9	C11	86.215
C10	O16	C11	90.155	H12	C10	H14	109.929
H12	C10	O16	111.330	H13	C11	H15	109.929
H13	C11	O16	111.330	H14	C10	O16	111.254
H15	C11	O16	111.254

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.382
2	H	0.122
3	H	0.122
4	H	0.125
5	C	-0.379
6	H	0.130
7	H	0.121
8	H	0.121
9	C	0.006
10	C	0.008
11	C	0.008
12	H	0.120
13	H	0.120
14	H	0.117
15	H	0.117
16	O	-0.476

	x	y	z	Total
	-0.052	2.447	0.000	2.448
CHELPG
AIM
ESP

<r²>	164.254
(<r²>)^1/2	12.816

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

using model chemistry: BLYP/6-31G

States and conformations

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