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	hartrees
Energy at 0K	-193.095024
Energy at 298.15K	-193.102233
HF Energy	-193.095024
Nuclear repulsion energy	128.563293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	2960	27.06
2	A₁	3044	2912	2.86
3	A₁	1548	1480	0.02
4	A₁	1490	1425	5.28
5	A₁	1401	1340	1.85
6	A₁	1077	1030	10.68
7	A₁	958	916	31.56
8	A₁	826	790	3.59
9	A₂	3084	2950	0.00
10	A₂	1247	1193	0.00
11	A₂	1175	1124	0.00
12	A₂	851	814	0.00
13	B₁	3154	3017	36.42
14	B₁	3083	2949	82.60
15	B₁	1209	1156	0.08
16	B₁	1159	1109	3.42
17	B₁	773	739	0.27
18	B₁	34	33	3.05
19	B₂	3034	2902	157.50
20	B₂	1519	1453	0.96
21	B₂	1333	1275	0.10
22	B₂	1283	1227	13.24
23	B₂	1082	1035	102.58
24	B₂	967	925	2.81

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.064
C2	0.000	0.000	-1.076
C3	0.000	1.029	0.069
C4	0.000	-1.029	0.069
H5	0.890	0.000	-1.705
H6	-0.890	0.000	-1.705
H7	0.892	1.662	0.131
H8	-0.892	1.662	0.131
H9	-0.892	-1.662	0.131
H10	0.892	-1.662	0.131

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1401	1.4314	1.4314	2.9083	2.9083	2.1041	2.1041	2.1041	2.1041
C2	2.1401		1.5393	1.5393	1.0897	1.0897	2.2389	2.2389	2.2389	2.2389
C3	1.4314	1.5393		2.0577	2.2352	2.2352	1.0952	1.0952	2.8351	2.8351
C4	1.4314	1.5393	2.0577		2.2352	2.2352	2.8351	2.8351	1.0952	1.0952
H5	2.9083	1.0897	2.2352	2.2352		1.7803	2.4759	3.0504	3.0504	2.4759
H6	2.9083	1.0897	2.2352	2.2352	1.7803		3.0504	2.4759	2.4759	3.0504
H7	2.1041	2.2389	1.0952	2.8351	2.4759	3.0504		1.7833	3.7716	3.3234
H8	2.1041	2.2389	1.0952	2.8351	3.0504	2.4759	1.7833		3.3234	3.7716
H9	2.1041	2.2389	2.8351	1.0952	3.0504	2.4759	3.7716	3.3234		1.7833
H10	2.1041	2.2389	2.8351	1.0952	2.4759	3.0504	3.3234	3.7716	1.7833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	C2	92.105	O1	C3	H7	112.086
O1	C3	H8	112.086	O1	C4	C2	92.105
O1	C4	H9	112.086	O1	C4	H10	112.086
C2	C3	H7	115.362	C2	C3	H8	115.362
C2	C4	H9	115.362	C2	C4	H10	115.362
C3	O1	C4	91.903	C3	C2	C4	83.887
C3	C2	H5	115.406	C3	C2	H6	115.406
C4	C2	H5	115.406	C4	C2	H6	115.406
H5	C2	H6	109.547	H7	C3	H8	109.011
H9	C4	H10	109.011

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: wB97X-D/6-311G**

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	-0.370
2	C	-0.384
3	C	0.035
4	C	0.035
5	H	0.136
6	H	0.136
7	H	0.104
8	H	0.104
9	H	0.104
10	H	0.104

<r²>	65.990
(<r²>)^1/2	8.123

All results from a given calculation for C3H6O (Oxetane)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₃H₆O (Oxetane)