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	hartrees
Energy at 0K	-152.269534
Energy at 298.15K
HF Energy	-151.644113
Nuclear repulsion energy	62.009561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3463	3463	3.37
2	A₁	1839	1839	3.55
3	A₁	1131	1131	18.02
4	A₁	925	925	54.74
5	A₂	680	680	0.00
6	B₁	550	550	84.27
7	B₂	3392	3392	51.94
8	B₂	1004	1004	6.42
9	B₂	409	409	0.53

Atom	y (Å)	z (Å)
O1	0.000	0.879
C2	0.631	-0.456
C3	-0.631	-0.456
H4	1.645	-0.783
H5	-1.645	-0.783

	O1	C2	C3	H4	H5
O1		1.4762	1.4762	2.3386	2.3386
C2	1.4762		1.2619	1.0659	2.2998
C3	1.4762	1.2619		2.2998	1.0659
H4	2.3386	1.0659	2.2998		3.2908
H5	2.3386	2.2998	1.0659	3.2908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.696	O1	C2	H4	133.187
O1	C3	C2	64.696	O1	C3	H5	133.187
C2	O1	C3	50.609	C2	C3	H5	162.117
C3	C2	H4	162.117

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP3=FULL/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: MP3=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)