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	hartrees
Energy at 0K	-270.995959
Energy at 298.15K	-271.007796
HF Energy	-270.048901
Nuclear repulsion energy	257.591488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3000	24.45
2	A'	3155	2997	27.78
3	A'	3125	2969	58.66
4	A'	3062	2910	19.33
5	A'	3057	2905	25.37
6	A'	3054	2902	28.45
7	A'	1553	1475	1.20
8	A'	1524	1448	4.58
9	A'	1508	1433	3.63
10	A'	1434	1362	3.44
11	A'	1420	1350	9.74
12	A'	1403	1334	1.24
13	A'	1327	1261	0.06
14	A'	1299	1234	6.23
15	A'	1195	1135	2.13
16	A'	1045	993	3.06
17	A'	1013	963	4.88
18	A'	976	927	1.40
19	A'	950	903	15.77
20	A'	850	808	10.44
21	A'	648	616	0.86
22	A'	407	387	0.15
23	A'	343	326	0.04
24	A'	124	118	6.03
25	A"	3148	2991	46.32
26	A"	3144	2987	2.10
27	A"	3124	2969	16.43
28	A"	3047	2895	97.51
29	A"	1535	1459	5.96
30	A"	1520	1445	5.08
31	A"	1504	1429	0.19
32	A"	1327	1261	2.16
33	A"	1248	1186	0.22
34	A"	1174	1116	0.29
35	A"	1073	1019	0.00
36	A"	1044	992	67.21
37	A"	957	910	0.03
38	A"	906	861	3.37
39	A"	389	370	0.76
40	A"	316	301	0.47
41	A"	295	281	0.01
42	A"	222	211	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-1.271	1.337	0.000
H2	-1.258	1.983	0.885
H3	-1.258	1.983	-0.885
H4	-2.210	0.774	0.000
C5	1.249	1.153	0.000
H6	2.085	0.446	0.000
H7	1.334	1.790	-0.888
H8	1.334	1.790	0.888
C9	-0.075	0.401	0.000
C10	-0.075	-0.754	1.021
C11	-0.075	-0.754	-1.021
H12	0.669	-0.712	1.824
H13	0.669	-0.712	-1.824
H14	-1.069	-0.966	1.440
H15	-1.069	-0.966	-1.440
O16	0.282	-1.713	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	C10	C11	H12	H13	H14	H15	O16
C1		1.0959	1.0959	1.0946	2.5268	3.4722	2.7887	2.7887	1.5180	2.6162	2.6162	3.3599	3.3599	2.7237	2.7237	3.4222
H2	1.0959		1.7706	1.7746	2.7854	3.7843	3.1462	2.5989	2.1640	2.9844	3.5389	3.4435	4.2797	3.0066	3.7601	4.1002
H3	1.0959	1.7706		1.7746	2.7854	3.7843	2.5989	3.1462	2.1640	3.5389	2.9844	4.2797	3.4435	3.7601	3.0066	4.1002
H4	1.0946	1.7746	1.7746		3.4800	4.3077	3.7917	3.7917	2.1670	2.8172	2.8172	3.7184	3.7184	2.5311	2.5311	3.5208
C5	2.5268	2.7854	2.7854	3.4800		1.0947	1.0957	1.0957	1.5234	2.5371	2.5371	2.6728	2.6728	3.4554	3.4554	3.0254
H6	3.4722	3.7843	3.7843	4.3077	1.0947		1.7771	1.7771	2.1611	2.6745	2.6745	2.5834	2.5834	3.7439	3.7439	2.8137
H7	2.7887	3.1462	2.5989	3.7917	1.0957	1.7771		1.7758	2.1685	3.4790	2.9112	3.7491	2.7530	4.3344	3.6977	3.7638
H8	2.7887	2.5989	3.1462	3.7917	1.0957	1.7771	1.7758		2.1685	2.9112	3.4790	2.7530	3.7491	3.6977	4.3344	3.7638
C9	1.5180	2.1640	2.1640	2.1670	1.5234	2.1611	2.1685	2.1685		1.5421	1.5421	2.2628	2.2628	2.2204	2.2204	2.1442
C10	2.6162	2.9844	3.5389	2.8172	2.5371	2.6745	3.4790	2.9112	1.5421		2.0430	1.0953	2.9413	1.0986	2.6628	1.4458
C11	2.6162	3.5389	2.9844	2.8172	2.5371	2.6745	2.9112	3.4790	1.5421	2.0430		2.9413	1.0953	2.6628	1.0986	1.4458
H12	3.3599	3.4435	4.2797	3.7184	2.6728	2.5834	3.7491	2.7530	2.2628	1.0953	2.9413		3.6474	1.7978	3.7062	2.1160
H13	3.3599	4.2797	3.4435	3.7184	2.6728	2.5834	2.7530	3.7491	2.2628	2.9413	1.0953	3.6474		3.7062	1.7978	2.1160
H14	2.7237	3.0066	3.7601	2.5311	3.4554	3.7439	4.3344	3.6977	2.2204	1.0986	2.6628	1.7978	3.7062		2.8799	2.1105
H15	2.7237	3.7601	3.0066	2.5311	3.4554	3.7439	3.6977	4.3344	2.2204	2.6628	1.0986	3.7062	1.7978	2.8799		2.1105
O16	3.4222	4.1002	4.1002	3.5208	3.0254	2.8137	3.7638	3.7638	2.1442	1.4458	1.4458	2.1160	2.1160	2.1105	2.1105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	C5	112.364	C1	C9	C10	117.499
C1	C9	C11	117.499	H2	C1	H3	107.770
H2	C1	H4	108.222	H2	C1	C9	110.733
H3	C1	H4	108.222	H3	C1	C9	110.733
H4	C1	C9	111.043	C5	C9	C10	111.709
C5	C9	C11	111.709	H6	C5	H7	108.443
H6	C5	H8	108.443	H6	C5	C9	110.191
H7	C5	H8	108.254	H7	C5	C9	110.717
H8	C5	C9	110.717	C9	C10	H12	117.170
C9	C10	H14	113.392	C9	C10	O16	91.657
C9	C11	H13	117.170	C9	C11	H15	113.392
C9	C11	O16	91.657	C10	C9	C11	82.964
C10	O16	C11	89.903	H12	C10	H14	110.061
H12	C10	O16	112.017	H13	C11	H15	110.061
H13	C11	O16	112.017	H14	C10	O16	111.359
H15	C11	O16	111.359

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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