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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	-192.594481
Energy at 298.15K
HF Energy	-191.920145
Nuclear repulsion energy	127.367253

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.075
C2	0.000	0.000	-1.082
C3	0.000	1.040	0.067
C4	0.000	-1.040	0.067
H5	0.900	0.000	-1.718
H6	-0.900	0.000	-1.718
H7	0.901	1.680	0.131
H8	-0.901	1.680	0.131
H9	-0.901	-1.680	0.131
H10	0.901	-1.680	0.131

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1571	1.4484	1.4484	2.9346	2.9346	2.1274	2.1274	2.1274	2.1274
C2	2.1571		1.5496	1.5496	1.1023	1.1023	2.2601	2.2601	2.2601	2.2601
C3	1.4484	1.5496		2.0797	2.2534	2.2534	1.1073	1.1073	2.8663	2.8663
C4	1.4484	1.5496	2.0797		2.2534	2.2534	2.8663	2.8663	1.1073	1.1073
H5	2.9346	1.1023	2.2534	2.2534		1.8005	2.4989	3.0804	3.0804	2.4989
H6	2.9346	1.1023	2.2534	2.2534	1.8005		3.0804	2.4989	2.4989	3.0804
H7	2.1274	2.2601	1.1073	2.8663	2.4989	3.0804		1.8017	3.8134	3.3609
H8	2.1274	2.2601	1.1073	2.8663	3.0804	2.4989	1.8017		3.3609	3.8134
H9	2.1274	2.2601	2.8663	1.1073	3.0804	2.4989	3.8134	3.3609		1.8017
H10	2.1274	2.2601	2.8663	1.1073	2.4989	3.0804	3.3609	3.8134	1.8017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	C2	91.966	O1	C3	H7	112.011
O1	C3	H8	112.011	O1	C4	C2	91.966
O1	C4	H9	112.011	O1	C4	H10	112.011
C2	C3	H7	115.559	C2	C3	H8	115.559
C2	C4	H9	115.559	C2	C4	H10	115.559
C3	O1	C4	91.772	C3	C2	C4	84.295
C3	C2	H5	115.329	C3	C2	H6	115.329
C4	C2	H5	115.329	C4	C2	H6	115.329
H5	C2	H6	109.518	H7	C3	H8	108.893
H9	C4	H10	108.893

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: QCISD(TQ)=FULL/cc-pVDZ

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	-192.593881
Energy at 298.15K
HF Energy	-191.919352
Nuclear repulsion energy	127.543701

All results from a given calculation for C3H6O (Oxetane)

using model chemistry: QCISD(TQ)=FULL/cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for C₃H₆O (Oxetane)