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	hartrees
Energy at 0K	-192.982746
Energy at 298.15K	-192.989857
HF Energy	-192.982746
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3036	2977	34.57
2	A₁	2968	2910	2.31
3	A₁	1546	1516	0.03
4	A₁	1491	1461	1.07
5	A₁	1369	1342	5.25
6	A₁	1028	1008	4.56
7	A₁	907	889	26.88
8	A₁	793	778	3.66
9	A₂	2999	2940	0.00
10	A₂	1223	1199	0.00
11	A₂	1148	1126	0.00
12	A₂	835	819	0.00
13	B₁	3092	3032	41.80
14	B₁	2998	2939	121.53
15	B₁	1179	1156	1.58
16	B₁	1128	1106	0.76
17	B₁	763	748	0.17
18	B₁	37	36	2.07
19	B₂	2955	2897	199.81
20	B₂	1515	1485	8.20
21	B₂	1292	1267	0.70
22	B₂	1244	1219	7.07
23	B₂	1012	992	102.43
24	B₂	936	918	9.53

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.079
C2	0.000	0.000	-1.080
C3	0.000	1.039	0.063
C4	0.000	-1.039	0.063
H5	0.895	0.000	-1.715
H6	-0.895	0.000	-1.715
H7	0.897	1.678	0.130
H8	-0.897	1.678	0.130
H9	-0.897	-1.678	0.130
H10	0.897	-1.678	0.130

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1598	1.4533	1.4533	2.9339	2.9339	2.1264	2.1264	2.1264	2.1264
C2	2.1598		1.5448	1.5448	1.0970	1.0970	2.2548	2.2548	2.2548	2.2548
C3	1.4533	1.5448		2.0775	2.2451	2.2451	1.1035	1.1035	2.8615	2.8615
C4	1.4533	1.5448	2.0775		2.2451	2.2451	2.8615	2.8615	1.1035	1.1035
H5	2.9339	1.0970	2.2451	2.2451		1.7902	2.4932	3.0706	3.0706	2.4932
H6	2.9339	1.0970	2.2451	2.2451	1.7902		3.0706	2.4932	2.4932	3.0706
H7	2.1264	2.2548	1.1035	2.8615	2.4932	3.0706		1.7945	3.8050	3.3553
H8	2.1264	2.2548	1.1035	2.8615	3.0706	2.4932	1.7945		3.3553	3.8050
H9	2.1264	2.2548	2.8615	1.1035	3.0706	2.4932	3.8050	3.3553		1.7945
H10	2.1264	2.2548	2.8615	1.1035	2.4932	3.0706	3.3553	3.8050	1.7945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	C2	92.196	O1	C3	H7	112.274
O1	C3	H8	112.274	O1	C4	C2	92.196
O1	C4	H9	112.274	O1	C4	H10	112.274
C2	C3	H7	115.397	C2	C3	H8	115.397
C2	C4	H9	115.397	C2	C4	H10	115.397
C3	O1	C4	91.683	C3	C2	C4	83.925
C3	C2	H5	115.499	C3	C2	H6	115.499
C4	C2	H5	115.499	C4	C2	H6	115.499
H5	C2	H6	109.248	H7	C3	H8	108.593
H9	C4	H10	108.593

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: B97D3/6-31G*

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	-0.480
2	C	-0.366
3	C	-0.013
4	C	-0.013
5	H	0.158
6	H	0.158
7	H	0.139
8	H	0.139
9	H	0.139
10	H	0.139

<r²>	66.772
(<r²>)^1/2	8.171

All results from a given calculation for C3H6O (Oxetane)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₃H₆O (Oxetane)