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	hartrees
Energy at 0K	-270.083845
Energy at 298.15K	-270.095775
HF Energy	-270.083845
Nuclear repulsion energy	258.595968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	2909	103.58
2	A'	3215	2908	52.51
3	A'	3201	2896	38.33
4	A'	3173	2870	1.64
5	A'	3150	2850	30.88
6	A'	3145	2845	26.25
7	A'	1666	1507	2.51
8	A'	1621	1466	4.17
9	A'	1606	1453	2.90
10	A'	1548	1401	3.64
11	A'	1531	1385	5.83
12	A'	1520	1375	1.07
13	A'	1403	1269	1.16
14	A'	1374	1242	10.53
15	A'	1276	1154	2.57
16	A'	1118	1011	23.61
17	A'	1061	959	15.84
18	A'	1046	946	1.44
19	A'	995	900	0.38
20	A'	927	839	14.99
21	A'	683	618	0.29
22	A'	436	395	0.05
23	A'	366	331	0.05
24	A'	27	24	7.41
25	A"	3206	2901	88.65
26	A"	3204	2898	0.00
27	A"	3197	2892	0.00
28	A"	3161	2859	153.67
29	A"	1646	1489	2.10
30	A"	1621	1467	7.59
31	A"	1603	1450	0.00
32	A"	1437	1300	0.02
33	A"	1330	1203	0.11
34	A"	1265	1144	0.00
35	A"	1157	1047	112.14
36	A"	1152	1042	0.00
37	A"	1013	916	0.00
38	A"	954	863	1.60
39	A"	420	380	1.16
40	A"	338	306	0.00
41	A"	281	254	0.22
42	A"	238	216	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.258	1.252	0.000
H2	-1.291	1.891	0.876
H3	-1.291	1.891	-0.876
H4	-2.151	0.639	0.000
C5	1.258	1.252	0.000
H6	2.151	0.639	0.000
H7	1.291	1.891	-0.876
H8	1.291	1.891	0.876
C9	-0.000	0.396	0.000
C10	-0.000	-0.756	1.026
C11	-0.000	-0.756	-1.026
H12	0.882	-0.828	1.651
H13	0.882	-0.828	-1.651
H14	-0.883	-0.828	1.650
H15	-0.883	-0.828	-1.650
O16	0.001	-1.732	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	C10	C11	H12	H13	H14	H15	O16
C1		1.0851	1.0851	1.0837	2.5156	3.4638	2.7698	2.7698	1.5216	2.5823	2.5823	3.4109	3.4109	2.6821	2.6821	3.2390
H2	1.0851		1.7529	1.7540	2.7697	3.7662	3.1204	2.5816	2.1610	2.9491	3.5062	3.5661	4.3018	2.8569	3.7347	3.9453
H3	1.0851	1.7529		1.7540	2.7697	3.7662	2.5816	3.1204	2.1610	3.5062	2.9491	4.3018	3.5661	3.7347	2.8569	3.9453
H4	1.0837	1.7540	1.7540		3.4638	4.3026	3.7662	3.7662	2.1650	2.7618	2.7618	3.7527	3.7527	2.5468	2.5468	3.2023
C5	2.5156	2.7697	2.7697	3.4638		1.0837	1.0851	1.0851	1.5216	2.5822	2.5822	2.6820	2.6820	3.4111	3.4111	3.2384
H6	3.4638	3.7662	3.7662	4.3026	1.0837		1.7540	1.7540	2.1650	2.7616	2.7616	2.5470	2.5470	3.7528	3.7528	3.2011
H7	2.7698	3.1204	2.5816	3.7662	1.0851	1.7540		1.7529	2.1610	3.5061	2.9490	3.7347	2.8564	4.3019	3.5665	3.9447
H8	2.7698	2.5816	3.1204	3.7662	1.0851	1.7540	1.7529		2.1610	2.9490	3.5061	2.8564	3.7347	3.5665	4.3019	3.9447
C9	1.5216	2.1610	2.1610	2.1650	1.5216	2.1650	2.1610	2.1610		1.5426	1.5426	2.2367	2.2367	2.2366	2.2366	2.1282
C10	2.5823	2.9491	3.5062	2.7618	2.5822	2.7616	3.5061	2.9490	1.5426		2.0519	1.0840	2.8197	1.0840	2.8192	1.4161
C11	2.5823	3.5062	2.9491	2.7618	2.5822	2.7616	2.9490	3.5061	1.5426	2.0519		2.8197	1.0840	2.8192	1.0840	1.4161
H12	3.4109	3.5661	4.3018	3.7527	2.6820	2.5470	3.7347	2.8564	2.2367	1.0840	2.8197		3.3023	1.7656	3.7441	2.0789
H13	3.4109	4.3018	3.5661	3.7527	2.6820	2.5470	2.8564	3.7347	2.2367	2.8197	1.0840	3.3023		3.7441	1.7656	2.0789
H14	2.6821	2.8569	3.7347	2.5468	3.4111	3.7528	4.3019	3.5665	2.2366	1.0840	2.8192	1.7656	3.7441		3.3009	2.0789
H15	2.6821	3.7347	2.8569	2.5468	3.4111	3.7528	3.5665	4.3019	2.2366	2.8192	1.0840	3.7441	1.7656	3.3009		2.0789
O16	3.2390	3.9453	3.9453	3.2023	3.2384	3.2011	3.9447	3.9447	2.1282	1.4161	1.4161	2.0789	2.0789	2.0789	2.0789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	C5	111.504	C1	C9	C10	114.857
C1	C9	C11	114.857	H2	C1	H3	107.743
H2	C1	H4	107.944	H2	C1	C9	110.886
H3	C1	H4	107.944	H3	C1	C9	110.886
H4	C1	C9	111.291	C5	C9	C10	114.848
C5	C9	C11	114.848	H6	C5	H7	107.944
H6	C5	H8	107.944	H6	C5	C9	111.290
H7	C5	H8	107.744	H7	C5	C9	110.886
H8	C5	C9	110.886	C9	C10	H12	115.658
C9	C10	H14	115.652	C9	C10	O16	91.889
C9	C11	H13	115.658	C9	C11	H15	115.652
C9	C11	O16	91.889	C10	C9	C11	83.372
C10	O16	C11	92.851	H12	C10	H14	109.061
H12	C10	O16	111.832	H13	C11	H15	109.061
H13	C11	O16	111.832	H14	C10	O16	111.831
H15	C11	O16	111.831

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

using model chemistry: HF/daug-cc-pVTZ

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	-1.648
2	H	0.356
3	H	0.356
4	H	0.292
5	C	-1.648
6	H	0.292
7	H	0.356
8	H	0.356
9	C	1.651
10	C	-0.479
11	C	-0.479
12	H	0.443
13	H	0.443
14	H	0.443
15	H	0.443
16	O	-1.179

	x	y	z	Total
	-0.001	2.144	0.000	2.144
CHELPG
AIM
ESP

<r²>	157.795
(<r²>)^1/2	12.562

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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