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	hartrees
Energy at 0K	-191.988000
Energy at 298.15K	-191.995439
HF Energy	-191.988000
Nuclear repulsion energy	129.611441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3219	2918	32.82
2	A₁	3184	2886	5.08
3	A₁	1674	1518	0.06
4	A₁	1616	1464	3.60
5	A₁	1514	1373	7.36
6	A₁	1136	1030	22.34
7	A₁	1018	923	32.04
8	A₁	894	811	6.48
9	A₂	3217	2916	0.00
10	A₂	1334	1209	0.00
11	A₂	1266	1147	0.00
12	A₂	894	811	0.00
13	B₁	3267	2961	70.08
14	B₁	3214	2913	68.30
15	B₁	1311	1188	0.02
16	B₁	1263	1145	5.80
17	B₁	820	744	0.07
18	B₁	87	78	5.15
19	B₂	3176	2878	175.92
20	B₂	1645	1491	1.89
21	B₂	1440	1305	0.42
22	B₂	1384	1254	7.50
23	B₂	1157	1048	133.24
24	B₂	997	904	1.42

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.047
C2	0.000	0.000	-1.069
C3	0.000	1.027	0.071
C4	0.000	-1.027	0.071
H5	0.881	0.000	-1.694
H6	-0.881	0.000	-1.694
H7	0.882	1.651	0.143
H8	-0.882	1.651	0.143
H9	-0.882	-1.651	0.143
H10	0.882	-1.651	0.143

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1161	1.4170	1.4170	2.8786	2.8786	2.0789	2.0789	2.0789	2.0789
C2	2.1161		1.5349	1.5349	1.0796	1.0796	2.2303	2.2303	2.2303	2.2303
C3	1.4170	1.5349		2.0549	2.2239	2.2239	1.0827	1.0827	2.8211	2.8211
C4	1.4170	1.5349	2.0549		2.2239	2.2239	2.8211	2.8211	1.0827	1.0827
H5	2.8786	1.0796	2.2239	2.2239		1.7612	2.4699	3.0343	3.0343	2.4699
H6	2.8786	1.0796	2.2239	2.2239	1.7612		3.0343	2.4699	2.4699	3.0343
H7	2.0789	2.2303	1.0827	2.8211	2.4699	3.0343		1.7641	3.7442	3.3025
H8	2.0789	2.2303	1.0827	2.8211	3.0343	2.4699	1.7641		3.3025	3.7442
H9	2.0789	2.2303	2.8211	1.0827	3.0343	2.4699	3.7442	3.3025		1.7641
H10	2.0789	2.2303	2.8211	1.0827	2.4699	3.0343	3.3025	3.7442	1.7641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	C2	91.503	O1	C3	H7	111.838
O1	C3	H8	111.838	O1	C4	C2	91.503
O1	C4	H9	111.838	O1	C4	H10	111.838
C2	C3	H7	115.787	C2	C3	H8	115.787
C2	C4	H9	115.787	C2	C4	H10	115.787
C3	O1	C4	92.951	C3	C2	C4	84.043
C3	C2	H5	115.453	C3	C2	H6	115.453
C4	C2	H5	115.453	C4	C2	H6	115.453
H5	C2	H6	109.309	H7	C3	H8	109.106
H9	C4	H10	109.106

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: HF/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	-0.437
2	C	-0.165
3	C	0.199
4	C	0.199
5	H	0.049
6	H	0.049
7	H	0.027
8	H	0.027
9	H	0.027
10	H	0.027

<r²>	65.382
(<r²>)^1/2	8.086

All results from a given calculation for C3H6O (Oxetane)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₆O (Oxetane)