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	hartrees
Energy at 0K	-152.104462
Energy at 298.15K
HF Energy	-151.621418
Nuclear repulsion energy	61.492776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3441	3286	2.08
2	A₁	1809	1728	1.29
3	A₁	1124	1074	8.35
4	A₁	917	876	46.81
5	A₂	608	580	0.00
6	B₁	532	509	84.79
7	B₂	3369	3217	39.38
8	B₂	975	931	5.10
9	B₂	346	331	1.06

Atom	y (Å)	z (Å)
O1	0.000	0.887
C2	0.636	-0.460
C3	-0.636	-0.460
H4	1.656	-0.788
H5	-1.656	-0.788

	O1	C2	C3	H4	H5
O1		1.4900	1.4900	2.3556	2.3556
C2	1.4900		1.2721	1.0716	2.3156
C3	1.4900	1.2721		2.3156	1.0716
H4	2.3556	1.0716	2.3156		3.3126
H5	2.3556	2.3156	1.0716	3.3126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.731	O1	C2	H4	133.068
O1	C3	C2	64.731	O1	C3	H5	133.068
C2	O1	C3	50.538	C2	C3	H5	162.201
C3	C2	H4	162.201

All results from a given calculation for C₂H₂O (Oxirene)

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

using model chemistry: CCD/6-311G**

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)