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	hartrees
Energy at 0K	-152.233500
Energy at 298.15K
HF Energy	-151.641855
Nuclear repulsion energy	61.316857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3397	3353
2	A₁	1763	1740
3	A₁	1074	1060
4	A₁	879	868
5	A₂	591	583
6	B₁	501	494
7	B₂	3330	3286
8	B₂	962	949
9	B₂	199	196

Atom	y (Å)	z (Å)
O1	0.000	0.892
C2	0.637	-0.463
C3	-0.637	-0.463
H4	1.657	-0.790
H5	-1.657	-0.790

	O1	C2	C3	H4	H5
O1		1.4966	1.4966	2.3606	2.3606
C2	1.4966		1.2736	1.0712	2.3169
C3	1.4966	1.2736		2.3169	1.0712
H4	2.3606	1.0712	2.3169		3.3137
H5	2.3606	2.3169	1.0712	3.3137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.817	O1	C2	H4	132.963
O1	C3	C2	64.817	O1	C3	H5	132.963
C2	O1	C3	50.366	C2	C3	H5	162.220
C3	C2	H4	162.220

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CCSD(T)/6-311+G(3df,2p)

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: CCSD(T)/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)