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	hartrees
Energy at 0K	-152.144727
Energy at 298.15K
HF Energy	-151.651868
Nuclear repulsion energy	62.235401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3515	3515	3.16
2	A₁	1897	1897	2.68
3	A₁	1148	1148	16.60
4	A₁	953	953	60.11
5	A₂	731	731	0.00
6	B₁	608	608	90.13
7	B₂	3439	3439	57.56
8	B₂	1028	1028	5.98
9	B₂	401	401	2.08

Atom	y (Å)	z (Å)
O1	0.000	0.878
C2	0.627	-0.455
C3	-0.627	-0.455
H4	1.638	-0.781
H5	-1.638	-0.781

	O1	C2	C3	H4	H5
O1		1.4729	1.4729	2.3310	2.3310
C2	1.4729		1.2535	1.0622	2.2879
C3	1.4729	1.2535		2.2879	1.0622
H4	2.3310	1.0622	2.2879		3.2756
H5	2.3310	2.2879	1.0622	3.2756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.816	O1	C2	H4	133.038
O1	C3	C2	64.816	O1	C3	H5	133.038
C2	O1	C3	50.367	C2	C3	H5	162.146
C3	C2	H4	162.146

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CID/Def2TZVPP

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: CID/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)