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	hartrees
Energy at 0K	-271.617531
Energy at 298.15K	-271.628879
Nuclear repulsion energy	254.201627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3022	3005	35.90
2	A'	3019	3003	27.63
3	A'	2956	2939	85.67
4	A'	2953	2937	49.90
5	A'	2947	2931	6.40
6	A'	2918	2902	15.79
7	A'	1498	1489	1.16
8	A'	1466	1458	2.27
9	A'	1451	1443	2.18
10	A'	1389	1382	0.89
11	A'	1366	1358	2.39
12	A'	1335	1328	0.66
13	A'	1248	1241	2.03
14	A'	1222	1215	10.24
15	A'	1113	1107	0.34
16	A'	984	979	2.23
17	A'	942	936	1.45
18	A'	921	916	7.94
19	A'	894	889	3.38
20	A'	820	815	10.67
21	A'	617	613	0.46
22	A'	398	396	0.08
23	A'	329	327	0.11
24	A'	45	44	3.53
25	A"	3013	2996	55.01
26	A"	3007	2991	0.11
27	A"	2954	2937	8.60
28	A"	2906	2890	139.93
29	A"	1478	1469	7.69
30	A"	1463	1455	0.58
31	A"	1448	1440	0.01
32	A"	1271	1264	1.46
33	A"	1178	1171	0.51
34	A"	1124	1118	0.05
35	A"	1034	1029	0.04
36	A"	974	968	77.37
37	A"	915	910	0.10
38	A"	851	846	3.18
39	A"	377	375	0.75
40	A"	302	300	0.05
41	A"	240	239	0.04
42	A"	202	201	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.277	1.296	0.000
H2	-1.299	1.948	0.889
H3	-1.299	1.948	-0.889
H4	-2.200	0.695	0.000
C5	1.269	1.237	0.000
H6	2.159	0.588	0.000
H7	1.323	1.885	-0.890
H8	1.323	1.885	0.890
C9	-0.025	0.405	0.000
C10	-0.025	-0.759	1.046
C11	-0.025	-0.759	-1.046
H12	0.828	-0.785	1.747
H13	0.828	-0.785	-1.747
H14	-0.964	-0.871	1.620
H15	-0.964	-0.871	-1.620
O16	0.096	-1.770	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	C10	C11	H12	H13	H14	H15	O16
C1		1.1030	1.1030	1.1016	2.5462	3.5082	2.8102	2.8102	1.5361	2.6232	2.6232	3.4373	3.4373	2.7243	2.7243	3.3600
H2	1.1030		1.7785	1.7813	2.8092	3.8212	3.1694	2.6227	2.1896	2.9957	3.5628	3.5685	4.3529	2.9321	3.7897	4.0703
H3	1.1030	1.7785		1.7813	2.8092	3.8212	2.6227	3.1694	2.1896	3.5628	2.9957	4.3529	3.5685	3.7897	2.9321	4.0703
H4	1.1016	1.7813	1.7813		3.5104	4.3601	3.8233	3.8233	2.1933	2.8164	2.8164	3.7960	3.7960	2.5700	2.5700	3.3687
C5	2.5462	2.8092	2.8092	3.5104		1.1015	1.1029	1.1029	1.5383	2.5978	2.5978	2.7080	2.7080	3.4720	3.4720	3.2273
H6	3.5082	3.8212	3.8212	4.3601	1.1015		1.7818	1.7818	2.1924	2.7712	2.7712	2.5902	2.5902	3.8094	3.8094	3.1333
H7	2.8102	3.1694	2.6227	3.8233	1.1029	1.7818		1.7804	2.1912	3.5434	2.9719	3.7856	2.8480	4.3741	3.6555	3.9573
H8	2.8102	2.6227	3.1694	3.8233	1.1029	1.7818	1.7804		2.1912	2.9719	3.5434	2.8480	3.7856	3.6555	4.3741	3.9573
C9	1.5361	2.1896	2.1896	2.1933	1.5383	2.1924	2.1912	2.1912		1.5645	1.5645	2.2797	2.2797	2.2663	2.2663	2.1789
C10	2.6232	2.9957	3.5628	2.8164	2.5978	2.7712	3.5434	2.9719	1.5645		2.0913	1.1050	2.9201	1.1064	2.8288	1.4601
C11	2.6232	3.5628	2.9957	2.8164	2.5978	2.7712	2.9719	3.5434	1.5645	2.0913		2.9201	1.1050	2.8288	1.1064	1.4601
H12	3.4373	3.5685	4.3529	3.7960	2.7080	2.5902	3.7856	2.8480	2.2797	1.1050	2.9201		3.4935	1.7989	3.8155	2.1347
H13	3.4373	4.3529	3.5685	3.7960	2.7080	2.5902	2.8480	3.7856	2.2797	2.9201	1.1050	3.4935		3.8155	1.7989	2.1347
H14	2.7243	2.9321	3.7897	2.5700	3.4720	3.8094	4.3741	3.6555	2.2663	1.1064	2.8288	1.7989	3.8155		3.2410	2.1352
H15	2.7243	3.7897	2.9321	2.5700	3.4720	3.8094	3.6555	4.3741	2.2663	2.8288	1.1064	3.8155	1.7989	3.2410		2.1352
O16	3.3600	4.0703	4.0703	3.3687	3.2273	3.1333	3.9573	3.9573	2.1789	1.4601	1.4601	2.1347	2.1347	2.1352	2.1352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	C5	111.828	C1	C9	C10	115.563
C1	C9	C11	115.563	H2	C1	H3	107.459
H2	C1	H4	107.810	H2	C1	C9	111.069
H3	C1	H4	107.810	H3	C1	C9	111.069
H4	C1	C9	111.447	C5	C9	C10	113.703
C5	C9	C11	113.703	H6	C5	H7	107.861
H6	C5	H8	107.861	H6	C5	C9	111.223
H7	C5	H8	107.636	H7	C5	C9	111.050
H8	C5	C9	111.050	C9	C10	H12	116.238
C9	C10	H14	115.026	C9	C10	O16	92.107
C9	C11	H13	116.238	C9	C11	H15	115.026
C9	C11	O16	92.107	C10	C9	C11	83.885
C10	O16	C11	91.475	H12	C10	H14	108.865
H12	C10	O16	111.904	H13	C11	H15	108.865
H13	C11	O16	111.904	H14	C10	O16	111.855
H15	C11	O16	111.855

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.430
2	H	0.101
3	H	0.101
4	H	0.103
5	C	-0.421
6	H	0.107
7	H	0.099
8	H	0.099
9	C	0.376
10	C	-0.114
11	C	-0.114
12	H	0.080
13	H	0.080
14	H	0.076
15	H	0.076
16	O	-0.219

	x	y	z	Total
	-0.150	1.813	0.000	1.819
CHELPG
AIM
ESP

	x	y	z
x	8.513	0.010	0.000
y	0.010	8.490	0.000
z	0.000	0.000	8.785

<r²>	161.664
(<r²>)^1/2	12.715

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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