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	hartrees
Energy at 0K	-152.205187
Energy at 298.15K
HF Energy	-151.643315
Nuclear repulsion energy	61.703095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3425	3231	3.07
2	A₁	1812	1709	3.27
3	A₁	1104	1041	14.02
4	A₁	908	856	56.55
5	A₂	643	606	0.00
6	B₁	540	509	81.18
7	B₂	3355	3164	50.44
8	B₂	989	933	6.19
9	B₂	316	298	1.07

Atom	y (Å)	z (Å)
O1	0.000	0.885
C2	0.633	-0.459
C3	-0.633	-0.459
H4	1.651	-0.785
H5	-1.651	-0.785

	O1	C2	C3	H4	H5
O1		1.4854	1.4854	2.3486	2.3486
C2	1.4854		1.2661	1.0692	2.3074
C3	1.4854	1.2661		2.3074	1.0692
H4	2.3486	1.0692	2.3074		3.3024
H5	2.3486	2.3074	1.0692	3.3024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.776	O1	C2	H4	132.998
O1	C3	C2	64.776	O1	C3	H5	132.998
C2	O1	C3	50.449	C2	C3	H5	162.226
C3	C2	H4	162.226

All results from a given calculation for C₂H₂O (Oxirene)

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

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)