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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	-192.657717
Energy at 298.15K
HF Energy	-191.956713
Nuclear repulsion energy	127.684764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3094	3000
2	A₁	3047	2955
3	A₁	1561	1514
4	A₁	1505	1460
5	A₁	1404	1362
6	A₁	1057	1025
7	A₁	937	909
8	A₁	815	790
9	A₂	3092	2998
10	A₂	1245	1207
11	A₂	1179	1143
12	A₂	849	824
13	B₁	3159	3063
14	B₁	3090	2997
15	B₁	1206	1170
16	B₁	1164	1128
17	B₁	775	752
18	B₁	34i	33i
19	B₂	3038	2946
20	B₂	1532	1486
21	B₂	1333	1293
22	B₂	1270	1232
23	B₂	1048	1016
24	B₂	961	932

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.078
C2	0.000	0.000	-1.082
C3	0.000	1.037	0.064
C4	0.000	-1.037	0.064
H5	0.896	0.000	-1.710
H6	-0.896	0.000	-1.710
H7	0.897	1.667	0.130
H8	-0.897	1.667	0.130
H9	-0.897	-1.667	0.130
H10	0.897	-1.667	0.130

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1599	1.4503	1.4503	2.9278	2.9278	2.1172	2.1172	2.1172	2.1172
C2	2.1599		1.5457	1.5457	1.0937	1.0937	2.2476	2.2476	2.2476	2.2476
C3	1.4503	1.5457		2.0743	2.2414	2.2414	1.0980	1.0980	2.8498	2.8498
C4	1.4503	1.5457	2.0743		2.2414	2.2414	2.8498	2.8498	1.0980	1.0980
H5	2.9278	1.0937	2.2414	2.2414		1.7916	2.4822	3.0619	3.0619	2.4822
H6	2.9278	1.0937	2.2414	2.2414	1.7916		3.0619	2.4822	2.4822	3.0619
H7	2.1172	2.2476	1.0980	2.8498	2.4822	3.0619		1.7939	3.7860	3.3340
H8	2.1172	2.2476	1.0980	2.8498	3.0619	2.4822	1.7939		3.3340	3.7860
H9	2.1172	2.2476	2.8498	1.0980	3.0619	2.4822	3.7860	3.3340		1.7939
H10	2.1172	2.2476	2.8498	1.0980	2.4822	3.0619	3.3340	3.7860	1.7939

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: MP4/6-311G**

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	92.205	O1	C3	H7	111.626
O1	C3	H8	111.626	O1	C4	C2	92.205
O1	C4	H9	111.626	O1	C4	H10	111.626
C2	C3	H7	115.414	C2	C3	H8	115.414
C2	C4	H9	115.414	C2	C4	H10	115.414
C3	O1	C4	91.307	C3	C2	C4	84.284
C3	C2	H5	115.177	C3	C2	H6	115.177
C4	C2	H5	115.177	C4	C2	H6	115.177
H5	C2	H6	109.978	H7	C3	H8	109.553
H9	C4	H10	109.553

All results from a given calculation for C3H6O (Oxetane)

using model chemistry: MP4/6-311G**

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for C₃H₆O (Oxetane)