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	hartrees
Energy at 0K	-149.804826
Energy at 298.15K
HF Energy	-149.616130
Nuclear repulsion energy	59.609477

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	3642	3176	11.36	58.06	0.23	0.37
2	A₁	1787	1558	0.22	7.97	0.16	0.28
3	A₁	1256	1095	0.37	3.00	0.22	0.36
4	A₁	956	834	0.26	6.59	0.60	0.75
5	A₂	738	643	0.00	0.17	0.75	0.86
6	B₁	575	502	36.07	0.78	0.75	0.86
7	B₂	3566	3109	83.90	16.79	0.75	0.86
8	B₂	1046	912	8.99	1.72	0.75	0.86
9	B₂	597	521	2.80	10.04	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.927
C2	0.654	-0.469
C3	-0.654	-0.469
H4	1.660	-0.895
H5	-1.660	-0.895

	O1	C2	C3	H4	H5
O1		1.5420	1.5420	2.4651	2.4651
C2	1.5420		1.3084	1.0926	2.3535
C3	1.5420	1.3084		2.3535	1.0926
H4	2.4651	1.0926	2.3535		3.3209
H5	2.4651	2.3535	1.0926	3.3209

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.895	O1	C2	H4	138.038
O1	C3	C2	64.895	O1	C3	H5	138.038
C2	O1	C3	50.209	C2	C3	H5	157.067
C3	C2	H4	157.067

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)