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	hartrees
Energy at 0K	-152.029962
Energy at 298.15K
HF Energy	-151.581325
Nuclear repulsion energy	61.242552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3441	3257	1.77
2	A₁	1836	1738	0.92
3	A₁	1126	1066	6.54
4	A₁	907	859	42.35
5	A₂	503	476	0.00
6	B₁	502	475	82.19
7	B₂	3371	3191	29.91
8	B₂	964	912	6.75
9	B₂	354	335	0.01

Atom	y (Å)	z (Å)
O1	0.000	0.894
C2	0.636	-0.463
C3	-0.636	-0.463
H4	1.658	-0.796
H5	-1.658	-0.796

	O1	C2	C3	H4	H5
O1		1.4990	1.4990	2.3681	2.3681
C2	1.4990		1.2724	1.0750	2.3186
C3	1.4990	1.2724		2.3186	1.0750
H4	2.3681	1.0750	2.3186		3.3166
H5	2.3681	2.3186	1.0750	3.3166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.887	O1	C2	H4	133.168
O1	C3	C2	64.887	O1	C3	H5	133.168
C2	O1	C3	50.227	C2	C3	H5	161.945
C3	C2	H4	161.945

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)