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	hartrees
Energy at 0K	-266.698083
Energy at 298.15K	-266.709907
Nuclear repulsion energy	255.174446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3754	3066	1.23
2	A'	3753	3064	0.68
3	A'	3688	3011	9.17
4	A'	3567	2912	0.83
5	A'	3566	2912	0.70
6	A'	3566	2912	1.70
7	A'	1838	1501	1.50
8	A'	1834	1497	0.14
9	A'	1829	1494	0.80
10	A'	1741	1422	0.30
11	A'	1733	1415	0.00
12	A'	1681	1373	0.08
13	A'	1553	1268	4.98
14	A'	1516	1238	12.03
15	A'	1309	1068	6.24
16	A'	1230	1004	0.56
17	A'	1173	958	0.67
18	A'	1154	942	2.17
19	A'	1092	892	0.63
20	A'	1024	836	0.14
21	A'	743	607	0.15
22	A'	451	368	0.10
23	A'	380	311	0.06
24	A'	94	77	4.69
25	A"	3749	3061	1.64
26	A"	3748	3060	0.00
27	A"	3685	3009	0.00
28	A"	3561	2908	6.58
29	A"	1840	1502	4.43
30	A"	1829	1493	0.00
31	A"	1812	1480	3.26
32	A"	1551	1267	6.28
33	A"	1474	1203	0.05
34	A"	1355	1107	19.97
35	A"	1316	1075	0.00
36	A"	1238	1011	0.00
37	A"	1089	889	2.85
38	A"	1083	884	0.00
39	A"	442	361	0.36
40	A"	351	287	0.00
41	A"	262	214	0.01
42	A"	232	189	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.272	1.268	0.000
H2	-1.296	1.903	0.880
H3	-1.296	1.903	-0.880
H4	-2.164	0.648	0.000
C5	1.272	1.268	0.000
H6	2.163	0.648	0.000
H7	1.296	1.903	-0.880
H8	1.296	1.903	0.880
C9	-0.000	0.397	0.000
C10	-0.000	-0.758	1.047
C11	-0.000	-0.758	-1.047
H12	0.890	-0.813	1.682
H13	0.890	-0.813	-1.682
H14	-0.890	-0.814	1.681
H15	-0.890	-0.814	-1.681
O16	0.000	-1.769	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	C10	C11	H12	H13	H14	H15	O16
C1		1.0863	1.0863	1.0856	2.5443	3.4910	2.7886	2.7886	1.5417	2.6110	2.6110	3.4398	3.4398	2.7026	2.7026	3.2921
H2	1.0863		1.7609	1.7618	2.7885	3.7843	3.1340	2.5925	2.1739	2.9651	3.5324	3.5780	4.3271	2.8616	3.7562	3.9926
H3	1.0863	1.7609		1.7618	2.7885	3.7843	2.5925	3.1340	2.1739	3.5324	2.9651	4.3271	3.5780	3.7562	2.8616	3.9926
H4	1.0856	1.7618	1.7618		3.4910	4.3269	3.7844	3.7844	2.1780	2.7843	2.7843	3.7796	3.7796	2.5658	2.5658	3.2437
C5	2.5443	2.7885	2.7885	3.4910		1.0856	1.0863	1.0863	1.5417	2.6110	2.6110	2.7026	2.7026	3.4400	3.4400	3.2917
H6	3.4910	3.7843	3.7843	4.3269	1.0856		1.7618	1.7618	2.1780	2.7843	2.7843	2.5661	2.5661	3.7798	3.7798	3.2430
H7	2.7886	3.1340	2.5925	3.7844	1.0863	1.7618		1.7609	2.1739	3.5324	2.9652	3.7564	2.8615	4.3273	3.5784	3.9923
H8	2.7886	2.5925	3.1340	3.7844	1.0863	1.7618	1.7609		2.1739	2.9652	3.5324	2.8615	3.7564	3.5784	4.3273	3.9923
C9	1.5417	2.1739	2.1739	2.1780	1.5417	2.1780	2.1739	2.1739		1.5585	1.5585	2.2547	2.2547	2.2547	2.2547	2.1652
C10	2.6110	2.9651	3.5324	2.7843	2.6110	2.7843	3.5324	2.9652	1.5585		2.0931	1.0946	2.8702	1.0946	2.8698	1.4547
C11	2.6110	3.5324	2.9651	2.7843	2.6110	2.7843	2.9652	3.5324	1.5585	2.0931		2.8702	1.0946	2.8698	1.0946	1.4547
H12	3.4398	3.5780	4.3271	3.7796	2.7026	2.5661	3.7564	2.8615	2.2547	1.0946	2.8702		3.3633	1.7801	3.8049	2.1287
H13	3.4398	4.3271	3.5780	3.7796	2.7026	2.5661	2.8615	3.7564	2.2547	2.8702	1.0946	3.3633		3.8049	1.7801	2.1287
H14	2.7026	2.8616	3.7562	2.5658	3.4400	3.7798	4.3273	3.5784	2.2547	1.0946	2.8698	1.7801	3.8049		3.3623	2.1287
H15	2.7026	3.7562	2.8616	2.5658	3.4400	3.7798	3.5784	4.3273	2.2547	2.8698	1.0946	3.8049	1.7801	3.3623		2.1287
O16	3.2921	3.9926	3.9926	3.2437	3.2917	3.2430	3.9923	3.9923	2.1652	1.4547	1.4547	2.1287	2.1287	2.1287	2.1287

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	C5	111.205	C1	C9	C10	114.746
C1	C9	C11	114.746	H2	C1	H3	108.287
H2	C1	H4	108.419	H2	C1	C9	110.425
H3	C1	H4	108.419	H3	C1	C9	110.425
H4	C1	C9	110.788	C5	C9	C10	114.746
C5	C9	C11	114.746	H6	C5	H7	108.418
H6	C5	H8	108.418	H6	C5	C9	110.787
H7	C5	H8	108.286	H7	C5	C9	110.427
H8	C5	C9	110.427	C9	C10	H12	115.273
C9	C10	H14	115.270	C9	C10	O16	91.808
C9	C11	H13	115.273	C9	C11	H15	115.270
C9	C11	O16	91.808	C10	C9	C11	84.370
C10	O16	C11	92.014	H12	C10	H14	108.798
H12	C10	O16	112.464	H13	C11	H15	108.798
H13	C11	O16	112.464	H14	C10	O16	112.464
H15	C11	O16	112.464

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

using model chemistry: HF/STO-3G

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	-0.182
2	H	0.061
3	H	0.061
4	H	0.062
5	C	-0.182
6	H	0.062
7	H	0.061
8	H	0.061
9	C	0.034
10	C	-0.008
11	C	-0.008
12	H	0.056
13	H	0.056
14	H	0.056
15	H	0.056
16	O	-0.245

	x	y	z	Total
	-0.001	1.771	0.000	1.771
CHELPG
AIM
ESP

<r²>	159.363
(<r²>)^1/2	12.624

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

using model chemistry: HF/STO-3G

States and conformations

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