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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	-192.585300
Energy at 298.15K
HF Energy	-191.919886
Nuclear repulsion energy	127.265759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3091	3091
2	A₁	3039	3039
3	A₁	1537	1537
4	A₁	1477	1477
5	A₁	1382	1382
6	A₁	1055	1055
7	A₁	939	939
8	A₁	824	824
9	A₂	3081	3081
10	A₂	1225	1225
11	A₂	1163	1163
12	A₂	831	831
13	B₁	3153	3153
14	B₁	3080	3080
15	B₁	1187	1187
16	B₁	1144	1144
17	B₁	755	755
18	B₁	33i	33i
19	B₂	3029	3029
20	B₂	1507	1507
21	B₂	1307	1307
22	B₂	1256	1256
23	B₂	1054	1054
24	B₂	951	951

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.076
C2	0.000	0.000	-1.083
C3	0.000	1.041	0.067
C4	0.000	-1.041	0.067
H5	0.901	0.000	-1.719
H6	-0.901	0.000	-1.719
H7	0.902	1.682	0.132
H8	-0.902	1.682	0.132
H9	-0.902	-1.682	0.132
H10	0.902	-1.682	0.132

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1588	1.4495	1.4495	2.9370	2.9370	2.1291	2.1291	2.1291	2.1291
C2	2.1588		1.5508	1.5508	1.1034	1.1034	2.2619	2.2619	2.2619	2.2619
C3	1.4495	1.5508		2.0813	2.2553	2.2553	1.1083	1.1083	2.8685	2.8685
C4	1.4495	1.5508	2.0813		2.2553	2.2553	2.8685	2.8685	1.1083	1.1083
H5	2.9370	1.1034	2.2553	2.2553		1.8025	2.5009	3.0831	3.0831	2.5009
H6	2.9370	1.1034	2.2553	2.2553	1.8025		3.0831	2.5009	2.5009	3.0831
H7	2.1291	2.2619	1.1083	2.8685	2.5009	3.0831		1.8036	3.8164	3.3634
H8	2.1291	2.2619	1.1083	2.8685	3.0831	2.5009	1.8036		3.3634	3.8164
H9	2.1291	2.2619	2.8685	1.1083	3.0831	2.5009	3.8164	3.3634		1.8036
H10	2.1291	2.2619	2.8685	1.1083	2.5009	3.0831	3.3634	3.8164	1.8036

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: QCISD(TQ)/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	91.969	O1	C3	H7	112.001
O1	C3	H8	112.001	O1	C4	C2	91.969
O1	C4	H9	112.001	O1	C4	H10	112.001
C2	C3	H7	115.557	C2	C3	H8	115.557
C2	C4	H9	115.557	C2	C4	H10	115.557
C3	O1	C4	91.770	C3	C2	C4	84.292
C3	C2	H5	115.323	C3	C2	H6	115.323
C4	C2	H5	115.323	C4	C2	H6	115.323
H5	C2	H6	109.536	H7	C3	H8	108.909
H9	C4	H10	108.909

	hartrees
Energy at 0K	-192.584235
Energy at 298.15K
HF Energy	-191.918861
Nuclear repulsion energy	127.458192

All results from a given calculation for C3H6O (Oxetane)

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

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for C₃H₆O (Oxetane)