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	hartrees
Energy at 0K	-193.187363
Energy at 298.15K	-193.194578
HF Energy	-193.187363
Nuclear repulsion energy	128.128968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3078	2963	28.84
2	A₁	3024	2911	0.70
3	A₁	1545	1488	0.03
4	A₁	1497	1441	3.22
5	A₁	1377	1326	1.94
6	A₁	1043	1004	6.39
7	A₁	921	887	31.07
8	A₁	813	782	5.99
9	A₂	3056	2942	0.00
10	A₂	1236	1190	0.00
11	A₂	1163	1119	0.00
12	A₂	841	809	0.00
13	B₁	3128	3011	34.26
14	B₁	3055	2940	72.87
15	B₁	1199	1155	0.32
16	B₁	1150	1107	2.14
17	B₁	771	742	0.21
18	B₁	62	60	3.55
19	B₂	3015	2902	158.42
20	B₂	1518	1461	1.27
21	B₂	1318	1269	0.14
22	B₂	1266	1219	9.08
23	B₂	1026	988	99.68
24	B₂	940	905	5.76

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.065
C2	0.000	0.000	-1.076
C3	0.000	1.036	0.068
C4	0.000	-1.036	0.068
H5	0.886	0.000	-1.705
H6	-0.886	0.000	-1.705
H7	0.889	1.669	0.132
H8	-0.889	1.669	0.132
H9	-0.889	-1.669	0.132
H10	0.889	-1.669	0.132

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1405	1.4380	1.4380	2.9086	2.9086	2.1088	2.1088	2.1088	2.1088
C2	2.1405		1.5432	1.5432	1.0873	1.0873	2.2440	2.2440	2.2440	2.2440
C3	1.4380	1.5432		2.0726	2.2369	2.2369	1.0932	1.0932	2.8486	2.8486
C4	1.4380	1.5432	2.0726		2.2369	2.2369	2.8486	2.8486	1.0932	1.0932
H5	2.9086	1.0873	2.2369	2.2369		1.7726	2.4825	3.0520	3.0520	2.4825
H6	2.9086	1.0873	2.2369	2.2369	1.7726		3.0520	2.4825	2.4825	3.0520
H7	2.1088	2.2440	1.0932	2.8486	2.4825	3.0520		1.7781	3.7826	3.3386
H8	2.1088	2.2440	1.0932	2.8486	3.0520	2.4825	1.7781		3.3386	3.7826
H9	2.1088	2.2440	2.8486	1.0932	3.0520	2.4825	3.7826	3.3386		1.7781
H10	2.1088	2.2440	2.8486	1.0932	2.4825	3.0520	3.3386	3.7826	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	C2	91.708	O1	C3	H7	112.122
O1	C3	H8	112.122	O1	C4	C2	91.708
O1	C4	H9	112.122	O1	C4	H10	112.122
C2	C3	H7	115.614	C2	C3	H8	115.614
C2	C4	H9	115.614	C2	C4	H10	115.614
C3	O1	C4	92.213	C3	C2	C4	84.370
C3	C2	H5	115.418	C3	C2	H6	115.418
C4	C2	H5	115.418	C4	C2	H6	115.418
H5	C2	H6	109.203	H7	C3	H8	108.819
H9	C4	H10	108.819

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: B3LYP/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	-0.349
2	C	-0.211
3	C	0.065
4	C	0.065
5	H	0.085
6	H	0.085
7	H	0.065
8	H	0.065
9	H	0.065
10	H	0.065

<r²>	66.585
(<r²>)^1/2	8.160

All results from a given calculation for C3H6O (Oxetane)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₆O (Oxetane)