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	hartrees
Energy at 0K	-149.805746
Energy at 298.15K
HF Energy	-149.616175
Nuclear repulsion energy	59.614807

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	3643	3238	11.36	58.03	0.23	0.37
2	A₁	1788	1589	0.22	7.97	0.16	0.28
3	A₁	1256	1116	0.38	3.01	0.22	0.36
4	A₁	956	850	0.26	6.58	0.60	0.75
5	A₂	738	656	0.00	0.17	0.75	0.86
6	B₁	575	511	36.03	0.78	0.75	0.86
7	B₂	3566	3170	83.88	16.78	0.75	0.86
8	B₂	1046	930	8.99	1.71	0.75	0.86
9	B₂	597	531	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		1.5418	1.5418	2.4649	2.4649
C2	1.5418		1.3083	1.0925	2.3533
C3	1.5418	1.3083		2.3533	1.0925
H4	2.4649	1.0925	2.3533		3.3207
H5	2.4649	2.3533	1.0925	3.3207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.896	O1	C2	H4	138.035
O1	C3	C2	64.896	O1	C3	H5	138.035
C2	O1	C3	50.208	C2	C3	H5	157.069
C3	C2	H4	157.069

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP2=FULL/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=FULL/STO-3G

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)