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	hartrees
Energy at 0K	-152.118846
Energy at 298.15K
HF Energy	-151.638689
Nuclear repulsion energy	61.660800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3478	3252	2.88
2	A₁	1845	1726	2.95
3	A₁	1126	1053	9.63
4	A₁	922	862	50.29
5	A₂	556	520	0.00
6	B₁	524	490	92.96
7	B₂	3407	3186	46.87
8	B₂	998	933	6.48
9	B₂	370	346	0.71

Atom	y (Å)	z (Å)
O1	0.000	0.888
C2	0.632	-0.460
C3	-0.632	-0.460
H4	1.645	-0.794
H5	-1.645	-0.794

	O1	C2	C3	H4	H5
O1		1.4887	1.4887	2.3530	2.3530
C2	1.4887		1.2645	1.0668	2.3020
C3	1.4887	1.2645		2.3020	1.0668
H4	2.3530	1.0668	2.3020		3.2907
H5	2.3530	2.3020	1.0668	3.2907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.868	O1	C2	H4	133.394
O1	C3	C2	64.868	O1	C3	H5	133.394
C2	O1	C3	50.263	C2	C3	H5	161.738
C3	C2	H4	161.738

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP3/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: MP3/TZVP

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)