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	hartrees
Energy at 0K	-270.458265
Energy at 298.15K	-270.469698
HF Energy	-269.892812
Nuclear repulsion energy	250.242005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3135	3026	99.74
2	A'	3114	3006	45.59
3	A'	3109	3001	6.60
4	A'	3060	2954	0.19
5	A'	3007	2903	25.98
6	A'	3005	2901	34.19
7	A'	1552	1498	1.83
8	A'	1540	1486	6.17
9	A'	1527	1474	5.58
10	A'	1462	1411	5.07
11	A'	1446	1396	13.57
12	A'	1371	1323	1.18
13	A'	1314	1269	1.44
14	A'	1273	1228	2.77
15	A'	1096	1058	0.09
16	A'	1018	983	0.59
17	A'	990	956	1.70
18	A'	945	913	0.07
19	A'	880	849	1.25
20	A'	769	742	17.93
21	A'	622	600	0.83
22	A'	410	395	0.26
23	A'	342	330	0.28
24	A'	17	17	11.22
25	A"	3131	3022	0.00
26	A"	3109	3002	71.84
27	A"	3103	2996	0.00
28	A"	3052	2946	120.64
29	A"	1546	1493	8.19
30	A"	1530	1477	7.64
31	A"	1526	1473	0.00
32	A"	1310	1264	4.94
33	A"	1250	1207	1.60
34	A"	1113	1074	0.00
35	A"	1079	1042	0.00
36	A"	965	931	0.00
37	A"	914	882	15.61
38	A"	879	849	26.40
39	A"	392	379	1.50
40	A"	318	307	0.00
41	A"	266	257	0.09
42	A"	217	210	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.284	1.276	0.000
H2	-1.316	1.924	0.896
H3	-1.316	1.924	-0.896
H4	-2.188	0.639	0.000
C5	1.284	1.276	0.000
H6	2.188	0.640	0.000
H7	1.315	1.925	-0.896
H8	1.315	1.925	0.896
C9	0.000	0.405	0.000
C10	0.000	-0.738	1.087
C11	0.000	-0.738	-1.087
H12	0.910	-0.812	1.707
H13	0.910	-0.812	-1.707
H14	-0.909	-0.812	1.707
H15	-0.909	-0.812	-1.707
O16	-0.000	-1.826	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	C10	C11	H12	H13	H14	H15	O16
C1		1.1066	1.1066	1.1057	2.5685	3.5304	2.8252	2.8252	1.5518	2.6246	2.6246	3.4766	3.4766	2.7228	2.7228	3.3573
H2	1.1066		1.7919	1.7934	2.8252	3.8381	3.1831	2.6309	2.2006	2.9763	3.5714	3.6192	4.3835	2.8828	3.7986	4.0744
H3	1.1066	1.7919		1.7934	2.8252	3.8381	2.6309	3.1831	2.2006	3.5714	2.9763	4.3835	3.6192	3.7986	2.8828	4.0744
H4	1.1057	1.7934	1.7934		3.5305	4.3767	3.8381	3.8381	2.2009	2.8052	2.8052	3.8234	3.8234	2.5799	2.5799	3.2964
C5	2.5685	2.8252	2.8252	3.5305		1.1057	1.1066	1.1066	1.5518	2.6246	2.6246	2.7227	2.7227	3.4765	3.4765	3.3577
H6	3.5304	3.8381	3.8381	4.3767	1.1057		1.7934	1.7934	2.2009	2.8052	2.8052	2.5797	2.5797	3.8233	3.8233	3.2970
H7	2.8252	3.1831	2.6309	3.8381	1.1066	1.7934		1.7919	2.2007	3.5714	2.9763	3.7985	2.8830	4.3835	3.6189	4.0747
H8	2.8252	2.6309	3.1831	3.8381	1.1066	1.7934	1.7919		2.2007	2.9763	3.5714	2.8830	3.7985	3.6189	4.3835	4.0747
C9	1.5518	2.2006	2.2006	2.2009	1.5518	2.2009	2.2007	2.2007		1.5777	1.5777	2.2851	2.2851	2.2852	2.2852	2.2311
C10	2.6246	2.9763	3.5714	2.8052	2.6246	2.8052	3.5714	2.9763	1.5777		2.1745	1.1032	2.9394	1.1032	2.9397	1.5381
C11	2.6246	3.5714	2.9763	2.8052	2.6246	2.8052	2.9763	3.5714	1.5777	2.1745		2.9394	1.1032	2.9397	1.1032	1.5381
H12	3.4766	3.6192	4.3835	3.8234	2.7227	2.5797	3.7985	2.8830	2.2851	1.1032	2.9394		3.4137	1.8193	3.8686	2.1841
H13	3.4766	4.3835	3.6192	3.8234	2.7227	2.5797	2.8830	3.7985	2.2851	2.9394	1.1032	3.4137		3.8686	1.8193	2.1841
H14	2.7228	2.8828	3.7986	2.5799	3.4765	3.8233	4.3835	3.6189	2.2852	1.1032	2.9397	1.8193	3.8686		3.4145	2.1841
H15	2.7228	3.7986	2.8828	2.5799	3.4765	3.8233	3.6189	4.3835	2.2852	2.9397	1.1032	3.8686	1.8193	3.4145		2.1841
O16	3.3573	4.0744	4.0744	3.2964	3.3577	3.2970	4.0747	4.0747	2.2311	1.5381	1.5381	2.1841	2.1841	2.1841	2.1841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	C5	111.703	C1	C9	C10	114.001
C1	C9	C11	114.001	H2	C1	H3	108.122
H2	C1	H4	108.324	H2	C1	C9	110.636
H3	C1	H4	108.324	H3	C1	C9	110.636
H4	C1	C9	110.708	C5	C9	C10	114.001
C5	C9	C11	114.001	H6	C5	H7	108.325
H6	C5	H8	108.325	H6	C5	C9	110.706
H7	C5	H8	108.123	H7	C5	C9	110.635
H8	C5	C9	110.635	C9	C10	H12	115.814
C9	C10	H14	115.819	C9	C10	O16	91.453
C9	C11	H13	115.814	C9	C11	H15	115.819
C9	C11	O16	91.453	C10	C9	C11	87.127
C10	O16	C11	89.967	H12	C10	H14	111.089
H12	C10	O16	110.488	H13	C11	H15	111.089
H13	C11	O16	110.488	H14	C10	O16	110.486
H15	C11	O16	110.486

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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