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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	-192.608410
Energy at 298.15K
HF Energy	-191.947237
Nuclear repulsion energy	127.729307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3071	2956
2	A₁	3027	2914
3	A₁	1570	1511
4	A₁	1519	1462
5	A₁	1399	1347
6	A₁	1060	1020
7	A₁	943	908
8	A₁	821	791
9	A₂	3070	2955
10	A₂	1246	1199
11	A₂	1177	1133
12	A₂	846	814
13	B₁	3130	3013
14	B₁	3068	2953
15	B₁	1207	1162
16	B₁	1161	1118
17	B₁	769	740
18	B₁	37i	36i
19	B₂	3019	2906
20	B₂	1541	1484
21	B₂	1324	1274
22	B₂	1269	1221
23	B₂	1055	1016
24	B₂	958	922

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.075
C2	0.000	0.000	-1.082
C3	0.000	1.037	0.065
C4	0.000	-1.037	0.065
H5	0.895	0.000	-1.713
H6	-0.895	0.000	-1.713
H7	0.898	1.668	0.133
H8	-0.898	1.668	0.133
H9	-0.898	-1.668	0.133
H10	0.898	-1.668	0.133

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1568	1.4478	1.4478	2.9280	2.9280	2.1153	2.1153	2.1153	2.1153
C2	2.1568		1.5459	1.5459	1.0951	1.0951	2.2500	2.2500	2.2500	2.2500
C3	1.4478	1.5459		2.0740	2.2441	2.2441	1.0991	1.0991	2.8506	2.8506
C4	1.4478	1.5459	2.0740		2.2441	2.2441	2.8506	2.8506	1.0991	1.0991
H5	2.9280	1.0951	2.2441	2.2441		1.7901	2.4876	3.0662	3.0662	2.4876
H6	2.9280	1.0951	2.2441	2.2441	1.7901		3.0662	2.4876	2.4876	3.0662
H7	2.1153	2.2500	1.0991	2.8506	2.4876	3.0662		1.7951	3.7879	3.3355
H8	2.1153	2.2500	1.0991	2.8506	3.0662	2.4876	1.7951		3.3355	3.7879
H9	2.1153	2.2500	2.8506	1.0991	3.0662	2.4876	3.7879	3.3355		1.7951
H10	2.1153	2.2500	2.8506	1.0991	2.4876	3.0662	3.3355	3.7879	1.7951

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: CCSD(T)/6-311G*

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	92.125	O1	C3	H7	111.573
O1	C3	H8	111.573	O1	C4	C2	92.125
O1	C4	H9	111.573	O1	C4	H10	111.573
C2	C3	H7	115.532	C2	C3	H8	115.532
C2	C4	H9	115.532	C2	C4	H10	115.532
C3	O1	C4	91.492	C3	C2	C4	84.258
C3	C2	H5	115.297	C3	C2	H6	115.297
C4	C2	H5	115.297	C4	C2	H6	115.297
H5	C2	H6	109.637	H7	C3	H8	109.490
H9	C4	H10	109.490

	hartrees
Energy at 0K	-192.608325
Energy at 298.15K
HF Energy	-191.946806
Nuclear repulsion energy	127.713382

All results from a given calculation for C3H6O (Oxetane)

using model chemistry: CCSD(T)/6-311G*

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for C₃H₆O (Oxetane)