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	hartrees
Energy at 0K	-152.077930
Energy at 298.15K	-152.078937
HF Energy	-151.601500
Nuclear repulsion energy	62.066329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3531	3531	2.44
2	A₁	1901	1901	1.13
3	A₁	1148	1148	8.05
4	A₁	951	951	50.57
5	A₂	660	660	0.00
6	B₁	618	618	74.63
7	B₂	3454	3454	55.72
8	B₂	1009	1009	5.63
9	B₂	348	348	1.51

Atom	y (Å)	z (Å)
O1	0.000	0.881
C2	0.628	-0.457
C3	-0.628	-0.457
H4	1.642	-0.779
H5	-1.642	-0.779

	O1	C2	C3	H4	H5
O1		1.4782	1.4782	2.3346	2.3346
C2	1.4782		1.2557	1.0637	2.2923
C3	1.4782	1.2557		2.2923	1.0637
H4	2.3346	1.0637	2.2923		3.2836
H5	2.3346	2.2923	1.0637	3.2836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.867	O1	C2	H4	132.723
O1	C3	C2	64.867	O1	C3	H5	132.723
C2	O1	C3	50.267	C2	C3	H5	162.410
C3	C2	H4	162.410

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CISD/6-31G(2df,p)

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: CISD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)