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	hartrees
Energy at 0K	-151.040913
Energy at 298.15K
HF Energy	-150.723877
Nuclear repulsion energy	58.634402

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	3246	4.03	88.54	0.18	0.30
2	A₁	1707	1619	3.03	20.38	0.24	0.39
3	A₁	1060	1005	1.46	2.69	0.38	0.55
4	A₁	841	797	14.32	7.92	0.42	0.60
5	A₂	536	508	0.00	0.77	0.75	0.86
6	B₁	532	504	111.53	1.07	0.75	0.86
7	B₂	3356	3181	27.91	20.58	0.75	0.86
8	B₂	961	911	10.86	1.58	0.75	0.86
9	B₂	194	184	2.59	13.20	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.973
C2	0.644	-0.501
C3	-0.644	-0.501
H4	1.644	-0.882
H5	-1.644	-0.882

	O1	C2	C3	H4	H5
O1		1.6084	1.6084	2.4781	2.4781
C2	1.6084		1.2873	1.0699	2.3186
C3	1.6084	1.2873		2.3186	1.0699
H4	2.4781	1.0699	2.3186		3.2870
H5	2.4781	2.3186	1.0699	3.2870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	66.411	O1	C2	H4	134.432
O1	C3	C2	66.411	O1	C3	H5	134.432
C2	O1	C3	47.177	C2	C3	H5	159.157
C3	C2	H4	159.157

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP2=FULL/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=FULL/3-21G*

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)