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	hartrees
Energy at 0K	-152.121279
Energy at 298.15K
HF Energy	-151.638495
Nuclear repulsion energy	61.596344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3456	3276	2.48
2	A₁	1832	1737	2.75
3	A₁	1121	1063	9.81
4	A₁	916	868	51.03
5	A₂	557	528	0.00
6	B₁	523	496	89.75
7	B₂	3385	3209	42.24
8	B₂	995	944	6.19
9	B₂	353	335	0.40

Atom	y (Å)	z (Å)
O1	0.000	0.889
C2	0.633	-0.460
C3	-0.633	-0.460
H4	1.648	-0.794
H5	-1.648	-0.794

	O1	C2	C3	H4	H5
O1		1.4902	1.4902	2.3552	2.3552
C2	1.4902		1.2657	1.0685	2.3050
C3	1.4902	1.2657		2.3050	1.0685
H4	2.3552	1.0685	2.3050		3.2958
H5	2.3552	2.3050	1.0685	3.2958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.870	O1	C2	H4	133.325
O1	C3	C2	64.870	O1	C3	H5	133.325
C2	O1	C3	50.261	C2	C3	H5	161.805
C3	C2	H4	161.805

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)