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	hartrees
Energy at 0K	-192.999738
Energy at 298.15K
HF Energy	-192.999738
Nuclear repulsion energy	127.259975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3033	2981	37.42
2	A₁	2973	2922	0.69
3	A₁	1516	1490	0.17
4	A₁	1469	1443	2.59
5	A₁	1347	1324	3.50
6	A₁	1015	998	4.93
7	A₁	895	879	34.87
8	A₁	787	773	4.65
9	A₂	3011	2959	0.00
10	A₂	1210	1189	0.00
11	A₂	1136	1116	0.00
12	A₂	828	814	0.00
13	B₁	3092	3039	39.14
14	B₁	3009	2957	95.41
15	B₁	1168	1148	0.80
16	B₁	1120	1100	1.44
17	B₁	760	747	0.27
18	B₁	22i	21i	3.49
19	B₂	2963	2912	194.82
20	B₂	1488	1462	3.70
21	B₂	1284	1262	0.01
22	B₂	1232	1211	9.45
23	B₂	996	979	99.00
24	B₂	927	911	11.22

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.081
C2	0.000	0.000	-1.081
C3	0.000	1.043	0.061
C4	0.000	-1.043	0.061
H5	0.895	0.000	-1.714
H6	-0.895	0.000	-1.714
H7	0.898	1.677	0.133
H8	-0.898	1.677	0.133
H9	-0.898	-1.677	0.133
H10	0.898	-1.677	0.133

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1618	1.4588	1.4588	2.9348	2.9348	2.1252	2.1252	2.1252	2.1252
C2	2.1618		1.5462	1.5462	1.0961	1.0961	2.2563	2.2563	2.2563	2.2563
C3	1.4588	1.5462		2.0856	2.2446	2.2446	1.1017	1.1017	2.8648	2.8648
C4	1.4588	1.5462	2.0856		2.2446	2.2446	2.8648	2.8648	1.1017	1.1017
H5	2.9348	1.0961	2.2446	2.2446		1.7893	2.4945	3.0720	3.0720	2.4945
H6	2.9348	1.0961	2.2446	2.2446	1.7893		3.0720	2.4945	2.4945	3.0720
H7	2.1252	2.2563	1.1017	2.8648	2.4945	3.0720		1.7964	3.8041	3.3533
H8	2.1252	2.2563	1.1017	2.8648	3.0720	2.4945	1.7964		3.3533	3.8041
H9	2.1252	2.2563	2.8648	1.1017	3.0720	2.4945	3.8041	3.3533		1.7964
H10	2.1252	2.2563	2.8648	1.1017	2.4945	3.0720	3.3533	3.8041	1.7964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	C2	92.016	O1	C3	H7	112.031
O1	C3	H8	112.031	O1	C4	C2	92.016
O1	C4	H9	112.031	O1	C4	H10	112.031
C2	C3	H7	115.568	C2	C3	H8	115.568
C2	C4	H9	115.568	C2	C4	H10	115.568
C3	O1	C4	91.837	C3	C2	C4	84.131
C3	C2	H5	115.450	C3	C2	H6	115.450
C4	C2	H5	115.450	C4	C2	H6	115.450
H5	C2	H6	109.260	H7	C3	H8	108.811
H9	C4	H10	108.811

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: B97D3/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	O	-0.375
2	C	-0.252
3	C	-0.119
4	C	-0.119
5	H	0.158
6	H	0.158
7	H	0.137
8	H	0.137
9	H	0.137
10	H	0.137

<r²>	67.287
(<r²>)^1/2	8.203

All results from a given calculation for C3H6O (Oxetane)

using model chemistry: B97D3/6-31+G**

States and conformations

All results from a given calculation for C₃H₆O (Oxetane)