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	hartrees
Energy at 0K	-192.940471
Energy at 298.15K
HF Energy	-192.940471
Nuclear repulsion energy	127.555210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3016	2979	27.87
2	A₁	2944	2909	0.38
3	A₁	1490	1472	0.01
4	A₁	1442	1424	3.52
5	A₁	1328	1312	1.06
6	A₁	1026	1014	3.95
7	A₁	902	891	28.26
8	A₁	780	770	5.16
9	A₂	2976	2940	0.00
10	A₂	1196	1182	0.00
11	A₂	1126	1112	0.00
12	A₂	815	805	0.00
13	B₁	3069	3032	25.86
14	B₁	2974	2938	80.76
15	B₁	1154	1141	0.54
16	B₁	1106	1092	1.11
17	B₁	747	738	0.29
18	B₁	9i	9i	2.53
19	B₂	2934	2899	168.32
20	B₂	1461	1444	1.25
21	B₂	1269	1253	0.13
22	B₂	1218	1203	10.15
23	B₂	1004	992	91.33
24	B₂	931	919	9.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.072
C2	0.000	0.000	-1.079
C3	0.000	1.037	0.068
C4	0.000	-1.037	0.068
H5	0.893	0.000	-1.713
H6	-0.893	0.000	-1.713
H7	0.896	1.676	0.129
H8	-0.896	1.676	0.129
H9	-0.896	-1.676	0.129
H10	0.896	-1.676	0.129

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1511	1.4433	1.4433	2.9248	2.9248	2.1210	2.1210	2.1210	2.1210
C2	2.1511		1.5458	1.5458	1.0951	1.0951	2.2520	2.2520	2.2520	2.2520
C3	1.4433	1.5458		2.0730	2.2457	2.2457	1.1023	1.1023	2.8570	2.8570
C4	1.4433	1.5458	2.0730		2.2457	2.2457	2.8570	2.8570	1.1023	1.1023
H5	2.9248	1.0951	2.2457	2.2457		1.7857	2.4907	3.0665	3.0665	2.4907
H6	2.9248	1.0951	2.2457	2.2457	1.7857		3.0665	2.4907	2.4907	3.0665
H7	2.1210	2.2520	1.1023	2.8570	2.4907	3.0665		1.7919	3.8002	3.3512
H8	2.1210	2.2520	1.1023	2.8570	3.0665	2.4907	1.7919		3.3512	3.8002
H9	2.1210	2.2520	2.8570	1.1023	3.0665	2.4907	3.8002	3.3512		1.7919
H10	2.1210	2.2520	2.8570	1.1023	2.4907	3.0665	3.3512	3.8002	1.7919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	C2	91.987	O1	C3	H7	112.169
O1	C3	H8	112.169	O1	C4	C2	91.987
O1	C4	H9	112.169	O1	C4	H10	112.169
C2	C3	H7	115.494	C2	C3	H8	115.494
C2	C4	H9	115.494	C2	C4	H10	115.494
C3	O1	C4	91.809	C3	C2	C4	84.218
C3	C2	H5	115.441	C3	C2	H6	115.441
C4	C2	H5	115.441	C4	C2	H6	115.441
H5	C2	H6	109.233	H7	C3	H8	108.746
H9	C4	H10	108.746

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: PBEPBE/Def2TZVPP

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	-0.277
2	C	-0.175
3	C	0.031
4	C	0.031
5	H	0.079
6	H	0.079
7	H	0.058
8	H	0.058
9	H	0.058
10	H	0.058

<r²>	67.044
(<r²>)^1/2	8.188

All results from a given calculation for C3H6O (Oxetane)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₆O (Oxetane)