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	hartrees
Energy at 0K	-193.054831
Energy at 298.15K	-193.061888
HF Energy	-193.054831
Nuclear repulsion energy	127.652758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3020	2980	34.46
2	A₁	2955	2917	0.18
3	A₁	1509	1489	0.04
4	A₁	1464	1445	2.95
5	A₁	1340	1323	1.53
6	A₁	1015	1002	4.68
7	A₁	892	880	32.09
8	A₁	789	778	6.18
9	A₂	2988	2949	0.00
10	A₂	1208	1192	0.00
11	A₂	1138	1123	0.00
12	A₂	823	812	0.00
13	B₁	3073	3033	36.84
14	B₁	2986	2947	85.40
15	B₁	1167	1152	0.27
16	B₁	1122	1107	1.50
17	B₁	754	744	0.14
18	B₁	12	11	3.26
19	B₂	2945	2907	184.14
20	B₂	1481	1462	1.69
21	B₂	1282	1265	0.22
22	B₂	1227	1211	7.78
23	B₂	991	978	94.00
24	B₂	922	910	9.71

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.076
C2	0.000	0.000	-1.077
C3	0.000	1.041	0.061
C4	0.000	-1.041	0.061
H5	0.891	0.000	-1.709
H6	-0.891	0.000	-1.709
H7	0.895	1.673	0.133
H8	-0.895	1.673	0.133
H9	-0.895	-1.673	0.133
H10	0.895	-1.673	0.133

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1533	1.4536	1.4536	2.9238	2.9238	2.1187	2.1187	2.1187	2.1187
C2	2.1533		1.5425	1.5425	1.0919	1.0919	2.2505	2.2505	2.2505	2.2505
C3	1.4536	1.5425		2.0815	2.2382	2.2382	1.0981	1.0981	2.8584	2.8584
C4	1.4536	1.5425	2.0815		2.2382	2.2382	2.8584	2.8584	1.0981	1.0981
H5	2.9238	1.0919	2.2382	2.2382		1.7815	2.4883	3.0627	3.0627	2.4883
H6	2.9238	1.0919	2.2382	2.2382	1.7815		3.0627	2.4883	2.4883	3.0627
H7	2.1187	2.2505	1.0981	2.8584	2.4883	3.0627		1.7900	3.7946	3.3459
H8	2.1187	2.2505	1.0981	2.8584	3.0627	2.4883	1.7900		3.3459	3.7946
H9	2.1187	2.2505	2.8584	1.0981	3.0627	2.4883	3.7946	3.3459		1.7900
H10	2.1187	2.2505	2.8584	1.0981	2.4883	3.0627	3.3459	3.7946	1.7900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	C2	91.871	O1	C3	H7	112.036
O1	C3	H8	112.036	O1	C4	C2	91.871
O1	C4	H9	112.036	O1	C4	H10	112.036
C2	C3	H7	115.609	C2	C3	H8	115.609
C2	C4	H9	115.609	C2	C4	H10	115.609
C3	O1	C4	92.012	C3	C2	C4	84.246
C3	C2	H5	115.435	C3	C2	H6	115.435
C4	C2	H5	115.435	C4	C2	H6	115.435
H5	C2	H6	109.231	H7	C3	H8	108.841
H9	C4	H10	108.841

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.685
2	C	-0.408
3	C	0.232
4	C	0.232
5	H	0.113
6	H	0.113
7	H	0.101
8	H	0.101
9	H	0.101
10	H	0.101

<r²>	66.942
(<r²>)^1/2	8.182

All results from a given calculation for C3H6O (Oxetane)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₆O (Oxetane)