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	hartrees
Energy at 0K	-152.205887
Energy at 298.15K
HF Energy	-151.650668
Nuclear repulsion energy	61.759983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3458	3458	3.11
2	A₁	1833	1833	2.84
3	A₁	1124	1124	12.97
4	A₁	920	920	52.28
5	A₂	659	659	0.00
6	B₁	549	549	87.14
7	B₂	3387	3387	49.84
8	B₂	987	987	6.71
9	B₂	396	396	0.84

Atom	y (Å)	z (Å)
O1	0.000	0.885
C2	0.632	-0.458
C3	-0.632	-0.458
H4	1.646	-0.789
H5	-1.646	-0.789

	O1	C2	C3	H4	H5
O1		1.4846	1.4846	2.3479	2.3479
C2	1.4846		1.2648	1.0664	2.3023
C3	1.4846	1.2648		2.3023	1.0664
H4	2.3479	1.0664	2.3023		3.2921
H5	2.3479	2.3023	1.0664	3.2921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.789	O1	C2	H4	133.300
O1	C3	C2	64.789	O1	C3	H5	133.300
C2	O1	C3	50.421	C2	C3	H5	161.910
C3	C2	H4	161.910

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP3/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)