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	hartrees
Energy at 0K	-152.195382
Energy at 298.15K
HF Energy	-151.641965
Nuclear repulsion energy	61.221884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3437	3263	2.83	98.91	0.20	0.33
2	A₁	1771	1681	2.65	38.46	0.14	0.24
3	A₁	1092	1037	5.19	5.96	0.29	0.45
4	A₁	887	842	50.73	6.23	0.52	0.68
5	A₂	616	585	0.00	1.83	0.75	0.86
6	B₁	511	485	82.72	0.30	0.75	0.86
7	B₂	3365	3195	52.31	16.83	0.75	0.86
8	B₂	968	920	7.11	1.84	0.75	0.86
9	B₂	139	132	2.16	14.24	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.896
C2	0.636	-0.465
C3	-0.636	-0.465
H4	1.651	-0.798
H5	-1.651	-0.798

	O1	C2	C3	H4	H5
O1		1.5022	1.5022	2.3655	2.3655
C2	1.5022		1.2724	1.0681	2.3113
C3	1.5022	1.2724		2.3113	1.0681
H4	2.3655	1.0681	2.3113		3.3019
H5	2.3655	2.3113	1.0681	3.3019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.943	O1	C2	H4	133.241
O1	C3	C2	64.943	O1	C3	H5	133.241
C2	O1	C3	50.113	C2	C3	H5	161.816
C3	C2	H4	161.816

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP2/cc-pVTZ

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: MP2/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)