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	hartrees
Energy at 0K	-151.035861
Energy at 298.15K
HF Energy	-150.723832
Nuclear repulsion energy	58.625285

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	3424	3257	4.02	88.60	0.18	0.30
2	A₁	1707	1624	3.04	20.38	0.24	0.39
3	A₁	1060	1008	1.44	2.68	0.38	0.55
4	A₁	841	800	14.35	7.91	0.42	0.60
5	A₂	535	509	0.00	0.78	0.75	0.86
6	B₁	532	506	111.59	1.07	0.75	0.86
7	B₂	3356	3192	27.83	20.59	0.75	0.86
8	B₂	961	914	10.86	1.59	0.75	0.86
9	B₂	193	184	2.58	13.18	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.973
C2	0.644	-0.502
C3	-0.644	-0.502
H4	1.644	-0.882
H5	-1.644	-0.882

	O1	C2	C3	H4	H5
O1		1.6087	1.6087	2.4784	2.4784
C2	1.6087		1.2875	1.0700	2.3189
C3	1.6087	1.2875		2.3189	1.0700
H4	2.4784	1.0700	2.3189		3.2875
H5	2.4784	2.3189	1.0700	3.2875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	66.412	O1	C2	H4	134.424
O1	C3	C2	66.412	O1	C3	H5	134.424
C2	O1	C3	47.176	C2	C3	H5	159.164
C3	C2	H4	159.164

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)