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	hartrees
Energy at 0K	-193.057320
Energy at 298.15K	-193.064434
HF Energy	-193.057320
Nuclear repulsion energy	127.646906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3028	2985	36.29
2	A₁	2958	2916	0.96
3	A₁	1512	1491	0.01
4	A₁	1464	1444	2.06
5	A₁	1346	1327	2.06
6	A₁	1016	1002	4.22
7	A₁	893	881	29.00
8	A₁	790	779	5.87
9	A₂	2989	2947	0.00
10	A₂	1212	1195	0.00
11	A₂	1137	1121	0.00
12	A₂	826	814	0.00
13	B₁	3080	3037	38.36
14	B₁	2987	2945	98.16
15	B₁	1171	1154	0.44
16	B₁	1120	1104	1.35
17	B₁	757	746	0.16
18	B₁	36	35	2.57
19	B₂	2947	2906	191.08
20	B₂	1483	1463	3.10
21	B₂	1283	1265	0.10
22	B₂	1232	1215	6.97
23	B₂	991	977	94.99
24	B₂	923	910	11.62

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.078
C2	0.000	0.000	-1.077
C3	0.000	1.040	0.061
C4	0.000	-1.040	0.061
H5	0.891	0.000	-1.708
H6	-0.891	0.000	-1.708
H7	0.895	1.674	0.130
H8	-0.895	1.674	0.130
H9	-0.895	-1.674	0.130
H10	0.895	-1.674	0.130

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1544	1.4544	1.4544	2.9247	2.9247	2.1215	2.1215	2.1215	2.1215
C2	2.1544		1.5415	1.5415	1.0917	1.0917	2.2486	2.2486	2.2486	2.2486
C3	1.4544	1.5415		2.0800	2.2371	2.2371	1.0984	1.0984	2.8582	2.8582
C4	1.4544	1.5415	2.0800		2.2371	2.2371	2.8582	2.8582	1.0984	1.0984
H5	2.9247	1.0917	2.2371	2.2371		1.7812	2.4855	3.0602	3.0602	2.4855
H6	2.9247	1.0917	2.2371	2.2371	1.7812		3.0602	2.4855	2.4855	3.0602
H7	2.1215	2.2486	1.0984	2.8582	2.4855	3.0602		1.7891	3.7955	3.3474
H8	2.1215	2.2486	1.0984	2.8582	3.0602	2.4855	1.7891		3.3474	3.7955
H9	2.1215	2.2486	2.8582	1.0984	3.0602	2.4855	3.7955	3.3474		1.7891
H10	2.1215	2.2486	2.8582	1.0984	2.4855	3.0602	3.3474	3.7955	1.7891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	C2	91.955	O1	C3	H7	112.207
O1	C3	H8	112.207	O1	C4	C2	91.955
O1	C4	H9	112.207	O1	C4	H10	112.207
C2	C3	H7	115.471	C2	C3	H8	115.471
C2	C4	H9	115.471	C2	C4	H10	115.471
C3	O1	C4	91.863	C3	C2	C4	84.227
C3	C2	H5	115.438	C3	C2	H6	115.438
C4	C2	H5	115.438	C4	C2	H6	115.438
H5	C2	H6	109.235	H7	C3	H8	108.750
H9	C4	H10	108.750

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: B97D3/cc-pVTZ

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	-0.299
2	C	-0.194
3	C	0.070
4	C	0.070
5	H	0.077
6	H	0.077
7	H	0.049
8	H	0.049
9	H	0.049
10	H	0.049

<r²>	66.829
(<r²>)^1/2	8.175

All results from a given calculation for C3H6O (Oxetane)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆O (Oxetane)