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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	-192.594049
Energy at 298.15K
HF Energy	-191.920129
Nuclear repulsion energy	127.369083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3096	2970
2	A₁	3042	2917
3	A₁	1539	1476
4	A₁	1479	1419
5	A₁	1384	1327
6	A₁	1056	1013
7	A₁	940	901
8	A₁	824	791
9	A₂	3085	2958
10	A₂	1226	1176
11	A₂	1166	1118
12	A₂	833	798
13	B₁	3160	3030
14	B₁	3084	2957
15	B₁	1187	1138
16	B₁	1145	1098
17	B₁	756	725
18	B₁	37i	36i
19	B₂	3032	2908
20	B₂	1509	1447
21	B₂	1309	1255
22	B₂	1258	1206
23	B₂	1054	1011
24	B₂	953	914

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	1.681	0.131
H8	-0.901	1.681	0.131
H9	-0.901	-1.681	0.131
H10	0.901	-1.681	0.131

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1570	1.4484	1.4484	2.9346	2.9346	2.1277	2.1277	2.1277	2.1277
C2	2.1570		1.5493	1.5493	1.1023	1.1023	2.2601	2.2601	2.2601	2.2601
C3	1.4484	1.5493		2.0795	2.2532	2.2532	1.1075	1.1075	2.8664	2.8664
C4	1.4484	1.5493	2.0795		2.2532	2.2532	2.8664	2.8664	1.1075	1.1075
H5	2.9346	1.1023	2.2532	2.2532		1.8006	2.4989	3.0804	3.0804	2.4989
H6	2.9346	1.1023	2.2532	2.2532	1.8006		3.0804	2.4989	2.4989	3.0804
H7	2.1277	2.2601	1.1075	2.8664	2.4989	3.0804		1.8018	3.8138	3.3613
H8	2.1277	2.2601	1.1075	2.8664	3.0804	2.4989	1.8018		3.3613	3.8138
H9	2.1277	2.2601	2.8664	1.1075	3.0804	2.4989	3.8138	3.3613		1.8018
H10	2.1277	2.2601	2.8664	1.1075	2.4989	3.0804	3.3613	3.8138	1.8018

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: QCISD(T)=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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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	C2	91.971	O1	C3	H7	112.014
O1	C3	H8	112.014	O1	C4	C2	91.971
O1	C4	H9	112.014	O1	C4	H10	112.014
C2	C3	H7	115.568	C2	C3	H8	115.568
C2	C4	H9	115.568	C2	C4	H10	115.568
C3	O1	C4	91.756	C3	C2	C4	84.302
C3	C2	H5	115.328	C3	C2	H6	115.328
C4	C2	H5	115.328	C4	C2	H6	115.328
H5	C2	H6	109.515	H7	C3	H8	108.869
H9	C4	H10	108.869

	hartrees
Energy at 0K	-192.594005
Energy at 298.15K
HF Energy	-191.920315
Nuclear repulsion energy	127.468695

All results from a given calculation for C3H6O (Oxetane)

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

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for C₃H₆O (Oxetane)