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	hartrees
Energy at 0K	-151.836872
Energy at 298.15K
HF Energy	-151.506421
Nuclear repulsion energy	59.014181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3406	3268	3.08
2	A₁	1746	1675	1.29
3	A₁	1019	978	0.02
4	A₁	830	796	25.92
5	A₂	538	516	0.00
6	B₁	545	523	106.47
7	B₂	3337	3202	22.55
8	B₂	959	920	12.31
9	B₂	366	351	0.00

Atom	y (Å)	z (Å)
O1	0.000	0.954
C2	0.646	-0.494
C3	-0.646	-0.494
H4	1.660	-0.854
H5	-1.660	-0.854

	O1	C2	C3	H4	H5
O1		1.5858	1.5858	2.4552	2.4552
C2	1.5858		1.2914	1.0767	2.3340
C3	1.5858	1.2914		2.3340	1.0767
H4	2.4552	1.0767	2.3340		3.3206
H5	2.4552	2.3340	1.0767	3.3206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	65.972	O1	C2	H4	133.582
O1	C3	C2	65.972	O1	C3	H5	133.582
C2	O1	C3	48.055	C2	C3	H5	160.446
C3	C2	H4	160.446

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CCD/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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All results from a given calculation for C2H2O (Oxirene)

using model chemistry: CCD/6-31G

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)