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	hartrees
Energy at 0K	-270.051415
Energy at 298.15K	-270.063405
Nuclear repulsion energy	258.268527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	2930	133.50
2	A'	3224	2929	55.88
3	A'	3212	2918	27.37
4	A'	3181	2890	0.03
5	A'	3155	2866	34.06
6	A'	3149	2861	26.98
7	A'	1670	1517	1.45
8	A'	1621	1473	5.17
9	A'	1606	1459	3.06
10	A'	1547	1406	5.21
11	A'	1531	1391	6.17
12	A'	1528	1389	1.25
13	A'	1404	1276	0.66
14	A'	1375	1249	11.63
15	A'	1277	1160	2.95
16	A'	1121	1019	25.04
17	A'	1062	965	14.03
18	A'	1044	948	1.94
19	A'	999	908	0.53
20	A'	937	851	13.15
21	A'	684	622	0.35
22	A'	441	401	0.00
23	A'	366	332	0.06
24	A'	36	33	6.68
25	A"	3215	2921	0.01
26	A"	3214	2920	96.36
27	A"	3205	2912	0.00
28	A"	3168	2878	147.90
29	A"	1648	1497	2.94
30	A"	1623	1474	7.19
31	A"	1604	1458	0.00
32	A"	1441	1309	0.87
33	A"	1330	1208	0.09
34	A"	1265	1149	0.00
35	A"	1165	1058	111.24
36	A"	1151	1046	0.00
37	A"	1013	921	0.00
38	A"	956	868	2.03
39	A"	420	381	1.25
40	A"	341	309	0.00
41	A"	283	257	0.20
42	A"	241	219	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.261	1.253	0.000
H2	-1.295	1.893	0.878
H3	-1.295	1.893	-0.878
H4	-2.155	0.637	0.000
C5	1.261	1.254	0.000
H6	2.155	0.638	0.000
H7	1.295	1.894	-0.878
H8	1.295	1.894	0.878
C9	0.000	0.397	0.000
C10	0.000	-0.757	1.026
C11	0.000	-0.757	-1.026
H12	0.885	-0.829	1.651
H13	0.885	-0.829	-1.651
H14	-0.884	-0.828	1.652
H15	-0.884	-0.828	-1.652
O16	-0.001	-1.734	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	C10	C11	H12	H13	H14	H15	O16
C1		1.0873	1.0873	1.0858	2.5214	3.4707	2.7769	2.7769	1.5243	2.5855	2.5855	3.4158	3.4158	2.6841	2.6841	3.2421
H2	1.0873		1.7568	1.7576	2.7769	3.7748	3.1291	2.5894	2.1653	2.9535	3.5113	3.5722	4.3084	2.8591	3.7389	3.9501
H3	1.0873	1.7568		1.7576	2.7769	3.7748	2.5894	3.1291	2.1653	3.5113	2.9535	4.3084	3.5722	3.7389	2.8591	3.9501
H4	1.0858	1.7576	1.7576		3.4707	4.3097	3.7747	3.7747	2.1682	2.7641	2.7641	3.7573	3.7573	2.5477	2.5477	3.2034
C5	2.5214	2.7769	2.7769	3.4707		1.0858	1.0873	1.0873	1.5243	2.5857	2.5857	2.6843	2.6843	3.4155	3.4155	3.2431
H6	3.4707	3.7748	3.7748	4.3097	1.0858		1.7576	1.7576	2.1682	2.7644	2.7644	2.5476	2.5476	3.7572	3.7572	3.2050
H7	2.7769	3.1291	2.5894	3.7747	1.0873	1.7576		1.7568	2.1653	3.5114	2.9537	3.7389	2.8597	4.3082	3.5716	3.9509
H8	2.7769	2.5894	3.1291	3.7747	1.0873	1.7576	1.7568		2.1653	2.9537	3.5114	2.8597	3.7389	3.5716	4.3082	3.9509
C9	1.5243	2.1653	2.1653	2.1682	1.5243	2.1682	2.1653	2.1653		1.5441	1.5441	2.2388	2.2388	2.2389	2.2389	2.1306
C10	2.5855	2.9535	3.5113	2.7641	2.5857	2.7644	3.5114	2.9537	1.5441		2.0525	1.0859	2.8209	1.0859	2.8215	1.4168
C11	2.5855	3.5113	2.9535	2.7641	2.5857	2.7644	2.9537	3.5114	1.5441	2.0525		2.8209	1.0859	2.8215	1.0859	1.4168
H12	3.4158	3.5722	4.3084	3.7573	2.6843	2.5476	3.7389	2.8597	2.2388	1.0859	2.8209		3.3024	1.7696	3.7475	2.0810
H13	3.4158	4.3084	3.5722	3.7573	2.6843	2.5476	2.8597	3.7389	2.2388	2.8209	1.0859	3.3024		3.7475	1.7696	2.0810
H14	2.6841	2.8591	3.7389	2.5477	3.4155	3.7572	4.3082	3.5716	2.2389	1.0859	2.8215	1.7696	3.7475		3.3043	2.0810
H15	2.6841	3.7389	2.8591	2.5477	3.4155	3.7572	3.5716	4.3082	2.2389	2.8215	1.0859	3.7475	1.7696	3.3043		2.0810
O16	3.2421	3.9501	3.9501	3.2034	3.2431	3.2050	3.9509	3.9509	2.1306	1.4168	1.4168	2.0810	2.0810	2.0810	2.0810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	C5	111.594	C1	C9	C10	114.829
C1	C9	C11	114.829	H2	C1	H3	107.771
H2	C1	H4	107.950	H2	C1	C9	110.900
H3	C1	H4	107.950	H3	C1	C9	110.900
H4	C1	C9	111.229	C5	C9	C10	114.842
C5	C9	C11	114.842	H6	C5	H7	107.950
H6	C5	H8	107.950	H6	C5	C9	111.230
H7	C5	H8	107.770	H7	C5	C9	110.899
H8	C5	C9	110.899	C9	C10	H12	115.592
C9	C10	H14	115.600	C9	C10	O16	91.936
C9	C11	H13	115.592	C9	C11	H15	115.600
C9	C11	O16	91.936	C10	C9	C11	83.304
C10	O16	C11	92.825	H12	C10	H14	109.138
H12	C10	O16	111.823	H13	C11	H15	109.138
H13	C11	O16	111.823	H14	C10	O16	111.825
H15	C11	O16	111.825

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.165
2	H	0.092
3	H	0.092
4	H	0.092
5	C	-0.165
6	H	0.092
7	H	0.092
8	H	0.092
9	C	-0.503
10	C	0.242
11	C	0.242
12	H	0.070
13	H	0.070
14	H	0.070
15	H	0.070
16	O	-0.486

	x	y	z	Total
	0.002	2.184	0.000	2.184
CHELPG
AIM
ESP

	x	y	z
x	7.966	-0.000	0.000
y	-0.000	8.038	0.000
z	0.000	0.000	8.278

<r²>	158.123
(<r²>)^1/2	12.575

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

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

States and conformations

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