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	hartrees
Energy at 0K	-270.452889
Energy at 298.15K	-270.464328
HF Energy	-269.891621
Nuclear repulsion energy	250.194880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3020	101.35
2	A'	3115	3000	46.36
3	A'	3110	2995	6.69
4	A'	3061	2948	0.20
5	A'	3008	2897	26.24
6	A'	3006	2895	34.71
7	A'	1552	1495	1.78
8	A'	1540	1483	6.16
9	A'	1527	1471	5.58
10	A'	1462	1408	5.10
11	A'	1446	1393	13.53
12	A'	1371	1320	1.14
13	A'	1314	1266	1.40
14	A'	1273	1226	2.69
15	A'	1096	1056	0.09
16	A'	1019	981	0.59
17	A'	991	954	1.71
18	A'	945	911	0.07
19	A'	880	847	1.27
20	A'	769	741	17.90
21	A'	622	599	0.80
22	A'	410	395	0.26
23	A'	342	330	0.27
24	A'	21	20	11.24
25	A"	3132	3016	0.00
26	A"	3111	2996	73.08
27	A"	3105	2990	0.00
28	A"	3052	2940	121.88
29	A"	1546	1489	7.98
30	A"	1531	1474	7.85
31	A"	1526	1470	0.00
32	A"	1310	1262	4.98
33	A"	1250	1204	1.57
34	A"	1113	1072	0.00
35	A"	1080	1040	0.00
36	A"	965	930	0.00
37	A"	914	880	15.91
38	A"	880	847	26.11
39	A"	393	378	1.51
40	A"	318	307	0.00
41	A"	266	256	0.09
42	A"	217	209	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.284	1.277	0.000
H2	-1.315	1.925	0.896
H3	-1.315	1.925	-0.896
H4	-2.189	0.641	0.000
C5	1.285	1.276	0.000
H6	2.189	0.640	0.000
H7	1.316	1.925	-0.896
H8	1.316	1.925	0.896
C9	0.000	0.405	0.000
C10	-0.000	-0.739	1.087
C11	-0.000	-0.739	-1.087
H12	0.909	-0.812	1.707
H13	0.909	-0.812	-1.707
H14	-0.910	-0.812	1.707
H15	-0.910	-0.812	-1.707
O16	-0.000	-1.827	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	C10	C11	H12	H13	H14	H15	O16
C1		1.1066	1.1066	1.1058	2.5691	3.5312	2.8257	2.8257	1.5523	2.6256	2.6256	3.4774	3.4774	2.7237	2.7237	3.3584
H2	1.1066		1.7919	1.7935	2.8257	3.8388	3.1835	2.6313	2.2012	2.9774	3.5723	3.6199	4.3844	2.8841	3.7996	4.0755
H3	1.1066	1.7919		1.7935	2.8257	3.8388	2.6313	3.1835	2.2012	3.5723	2.9774	4.3844	3.6199	3.7996	2.8841	4.0755
H4	1.1058	1.7935	1.7935		3.5313	4.3779	3.8388	3.8388	2.2015	2.8064	2.8064	3.8244	3.8244	2.5810	2.5810	3.2980
C5	2.5691	2.8257	2.8257	3.5313		1.1058	1.1067	1.1067	1.5523	2.6255	2.6255	2.7236	2.7236	3.4774	3.4774	3.3582
H6	3.5312	3.8388	3.8388	4.3779	1.1058		1.7935	1.7935	2.2015	2.8062	2.8062	2.5809	2.5809	3.8243	3.8243	3.2977
H7	2.8257	3.1835	2.6313	3.8388	1.1067	1.7935		1.7919	2.2012	3.5723	2.9773	3.7995	2.8839	4.3845	3.6201	4.0754
H8	2.8257	2.6313	3.1835	3.8388	1.1067	1.7935	1.7919		2.2012	2.9773	3.5723	2.8839	3.7995	3.6201	4.3845	4.0754
C9	1.5523	2.2012	2.2012	2.2015	1.5523	2.2015	2.2012	2.2012		1.5780	1.5780	2.2856	2.2856	2.2856	2.2856	2.2313
C10	2.6256	2.9774	3.5723	2.8064	2.6255	2.8062	3.5723	2.9773	1.5780		2.1746	1.1033	2.9400	1.1033	2.9399	1.5380
C11	2.6256	3.5723	2.9774	2.8064	2.6255	2.8062	2.9773	3.5723	1.5780	2.1746		2.9400	1.1033	2.9399	1.1033	1.5380
H12	3.4774	3.6199	4.3844	3.8244	2.7236	2.5809	3.7995	2.8839	2.2856	1.1033	2.9400		3.4148	1.8192	3.8691	2.1843
H13	3.4774	4.3844	3.6199	3.8244	2.7236	2.5809	2.8839	3.7995	2.2856	2.9400	1.1033	3.4148		3.8691	1.8192	2.1843
H14	2.7237	2.8841	3.7996	2.5810	3.4774	3.8243	4.3845	3.6201	2.2856	1.1033	2.9399	1.8192	3.8691		3.4146	2.1843
H15	2.7237	3.7996	2.8841	2.5810	3.4774	3.8243	3.6201	4.3845	2.2856	2.9399	1.1033	3.8691	1.8192	3.4146		2.1843
O16	3.3584	4.0755	4.0755	3.2980	3.3582	3.2977	4.0754	4.0754	2.2313	1.5380	1.5380	2.1843	2.1843	2.1843	2.1843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	C5	111.685	C1	C9	C10	114.014
C1	C9	C11	114.014	H2	C1	H3	108.116
H2	C1	H4	108.321	H2	C1	C9	110.638
H3	C1	H4	108.321	H3	C1	C9	110.638
H4	C1	C9	110.716	C5	C9	C10	114.009
C5	C9	C11	114.009	H6	C5	H7	108.322
H6	C5	H8	108.322	H6	C5	C9	110.715
H7	C5	H8	108.117	H7	C5	C9	110.637
H8	C5	C9	110.637	C9	C10	H12	115.818
C9	C10	H14	115.818	C9	C10	O16	91.456
C9	C11	H13	115.818	C9	C11	H15	115.818
C9	C11	O16	91.456	C10	C9	C11	87.107
C10	O16	C11	89.981	H12	C10	H14	111.066
H12	C10	O16	110.501	H13	C11	H15	111.066
H13	C11	O16	110.501	H14	C10	O16	110.499
H15	C11	O16	110.499

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

using model chemistry: MP2/LANL2DZ

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

using model chemistry: MP2/LANL2DZ

States and conformations

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