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	hartrees
Energy at 0K	-191.984347
Energy at 298.15K	-191.991580
HF Energy	-191.984347
Nuclear repulsion energy	125.987022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3136	2973	14.22
2	A₁	3105	2943	5.63
3	A₁	1598	1515	0.27
4	A₁	1533	1453	5.92
5	A₁	1380	1308	1.04
6	A₁	1024	971	0.17
7	A₁	886	840	12.97
8	A₁	815	773	5.75
9	A₂	3153	2989	0.00
10	A₂	1278	1212	0.00
11	A₂	1147	1087	0.00
12	A₂	885	839	0.00
13	B₁	3201	3034	29.37
14	B₁	3152	2988	52.58
15	B₁	1221	1158	2.12
16	B₁	1110	1052	0.40
17	B₁	775	735	1.79
18	B₁	75	71	3.64
19	B₂	3095	2934	101.79
20	B₂	1569	1487	0.36
21	B₂	1325	1256	22.24
22	B₂	1296	1228	3.17
23	B₂	1006	954	54.29
24	B₂	941	892	12.22

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.086
C2	0.000	0.000	-1.079
C3	0.000	1.061	0.066
C4	0.000	-1.061	0.066
H5	0.892	0.000	-1.706
H6	-0.892	0.000	-1.706
H7	0.892	1.694	0.103
H8	-0.892	1.694	0.103
H9	-0.892	-1.694	0.103
H10	0.892	-1.694	0.103

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1649	1.4719	1.4719	2.9309	2.9309	2.1523	2.1523	2.1523	2.1523
C2	2.1649		1.5614	1.5614	1.0902	1.0902	2.2504	2.2504	2.2504	2.2504
C3	1.4719	1.5614		2.1229	2.2501	2.2501	1.0946	1.0946	2.8968	2.8968
C4	1.4719	1.5614	2.1229		2.2501	2.2501	2.8968	2.8968	1.0946	1.0946
H5	2.9309	1.0902	2.2501	2.2501		1.7836	2.4786	3.0540	3.0540	2.4786
H6	2.9309	1.0902	2.2501	2.2501	1.7836		3.0540	2.4786	2.4786	3.0540
H7	2.1523	2.2504	1.0946	2.8968	2.4786	3.0540		1.7848	3.8298	3.3884
H8	2.1523	2.2504	1.0946	2.8968	3.0540	2.4786	1.7848		3.3884	3.8298
H9	2.1523	2.2504	2.8968	1.0946	3.0540	2.4786	3.8298	3.3884		1.7848
H10	2.1523	2.2504	2.8968	1.0946	2.4786	3.0540	3.3884	3.8298	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	C2	91.024	O1	C3	H7	113.168
O1	C3	H8	113.168	O1	C4	C2	91.024
O1	C4	H9	113.168	O1	C4	H10	113.168
C2	C3	H7	114.694	C2	C3	H8	114.694
C2	C4	H9	114.694	C2	C4	H10	114.694
C3	O1	C4	92.297	C3	C2	C4	85.655
C3	C2	H5	114.950	C3	C2	H6	114.950
C4	C2	H5	114.950	C4	C2	H6	114.950
H5	C2	H6	109.778	H7	C3	H8	109.232
H9	C4	H10	109.232

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: wB97X-D/3-21G*

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	-0.482
2	C	-0.534
3	C	-0.153
4	C	-0.153
5	H	0.231
6	H	0.231
7	H	0.215
8	H	0.215
9	H	0.215
10	H	0.215

<r²>	67.803
(<r²>)^1/2	8.234

All results from a given calculation for C3H6O (Oxetane)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for C₃H₆O (Oxetane)