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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	¹A₁
1	2	no	CS	¹A^'

	hartrees
Energy at 0K	-192.851782
Energy at 298.15K
HF Energy	-191.979615
Nuclear repulsion energy	128.373644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3112	2997
2	A₁	3065	2951
3	A₁	1561	1503
4	A₁	1509	1453
5	A₁	1391	1339
6	A₁	1055	1016
7	A₁	933	898
8	A₁	810	780
9	A₂	3092	2977
10	A₂	1248	1202
11	A₂	1179	1136
12	A₂	837	806
13	B₁	3156	3039
14	B₁	3090	2975
15	B₁	1209	1164
16	B₁	1155	1112
17	B₁	765	737
18	B₁	69i	67i
19	B₂	3058	2944
20	B₂	1533	1476
21	B₂	1326	1277
22	B₂	1268	1221
23	B₂	1043	1004
24	B₂	958	923

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.073
C2	0.000	0.000	-1.073
C3	0.000	1.035	0.061
C4	0.000	-1.035	0.061
H5	0.886	0.000	-1.697
H6	-0.886	0.000	-1.697
H7	0.889	1.659	0.128
H8	-0.889	1.659	0.128
H9	-0.889	-1.659	0.128
H10	0.889	-1.659	0.128

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1458	1.4467	1.4467	2.9079	2.9079	2.1060	2.1060	2.1060	2.1060
C2	2.1458		1.5355	1.5355	1.0838	1.0838	2.2330	2.2330	2.2330	2.2330
C3	1.4467	1.5355		2.0693	2.2243	2.2243	1.0883	1.0883	2.8376	2.8376
C4	1.4467	1.5355	2.0693		2.2243	2.2243	2.8376	2.8376	1.0883	1.0883
H5	2.9079	1.0838	2.2243	2.2243		1.7728	2.4666	3.0389	3.0389	2.4666
H6	2.9079	1.0838	2.2243	2.2243	1.7728		3.0389	2.4666	2.4666	3.0389
H7	2.1060	2.2330	1.0883	2.8376	2.4666	3.0389		1.7771	3.7647	3.3189
H8	2.1060	2.2330	1.0883	2.8376	3.0389	2.4666	1.7771		3.3189	3.7647
H9	2.1060	2.2330	2.8376	1.0883	3.0389	2.4666	3.7647	3.3189		1.7771
H10	2.1060	2.2330	2.8376	1.0883	2.4666	3.0389	3.3189	3.7647	1.7771

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	C2	91.983	O1	C3	H7	111.576
O1	C3	H8	111.576	O1	C4	C2	91.983
O1	C4	H9	111.576	O1	C4	H10	111.576
C2	C3	H7	115.604	C2	C3	H8	115.604
C2	C4	H9	115.604	C2	C4	H10	115.604
C3	O1	C4	91.312	C3	C2	C4	84.722
C3	C2	H5	115.163	C3	C2	H6	115.163
C4	C2	H5	115.163	C4	C2	H6	115.163
H5	C2	H6	109.741	H7	C3	H8	109.466
H9	C4	H10	109.466

	hartrees
Energy at 0K	-192.851485
Energy at 298.15K
HF Energy	-191.978427
Nuclear repulsion energy	128.336194

All results from a given calculation for C3H6O (Oxetane)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for C₃H₆O (Oxetane)