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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	-192.876738
Energy at 298.15K
HF Energy	-191.982348
Nuclear repulsion energy	128.322292

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.070
C2	0.000	0.000	-1.072
C3	0.000	1.037	0.062
C4	0.000	-1.037	0.062
H5	0.889	0.000	-1.696
H6	-0.889	0.000	-1.696
H7	0.892	1.660	0.130
H8	-0.892	1.660	0.130
H9	-0.892	-1.660	0.130
H10	0.892	-1.660	0.130

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1426	1.4458	1.4458	2.9060	2.9060	2.1057	2.1057	2.1057	2.1057
C2	2.1426		1.5368	1.5368	1.0862	1.0862	2.2354	2.2354	2.2354	2.2354
C3	1.4458	1.5368		2.0730	2.2265	2.2265	1.0904	1.0904	2.8407	2.8407
C4	1.4458	1.5368	2.0730		2.2265	2.2265	2.8407	2.8407	1.0904	1.0904
H5	2.9060	1.0862	2.2265	2.2265		1.7783	2.4680	3.0437	3.0437	2.4680
H6	2.9060	1.0862	2.2265	2.2265	1.7783		3.0437	2.4680	2.4680	3.0437
H7	2.1057	2.2354	1.0904	2.8407	2.4680	3.0437		1.7844	3.7685	3.3193
H8	2.1057	2.2354	1.0904	2.8407	3.0437	2.4680	1.7844		3.3193	3.7685
H9	2.1057	2.2354	2.8407	1.0904	3.0437	2.4680	3.7685	3.3193		1.7844
H10	2.1057	2.2354	2.8407	1.0904	2.4680	3.0437	3.3193	3.7685	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	C2	91.788	O1	C3	H7	111.478
O1	C3	H8	111.478	O1	C4	C2	91.788
O1	C4	H9	111.478	O1	C4	H10	111.478
C2	C3	H7	115.567	C2	C3	H8	115.567
C2	C4	H9	115.567	C2	C4	H10	115.567
C3	O1	C4	91.597	C3	C2	C4	84.826
C3	C2	H5	115.093	C3	C2	H6	115.093
C4	C2	H5	115.093	C4	C2	H6	115.093
H5	C2	H6	109.882	H7	C3	H8	109.818
H9	C4	H10	109.818

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: CCSD(T)=FULL/aug-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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	hartrees
Energy at 0K	-192.843485
Energy at 298.15K
HF Energy	-191.982150
Nuclear repulsion energy	128.482147

All results from a given calculation for C3H6O (Oxetane)

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for C₃H₆O (Oxetane)