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	hartrees
Energy at 0K	-152.095238
Energy at 298.15K
HF Energy	-151.606842
Nuclear repulsion energy	60.936662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3444	3444	3.11
2	A₁	1809	1809	3.99
3	A₁	1089	1089	16.32
4	A₁	892	892	53.21
5	A₂	589	589	0.00
6	B₁	524	524	83.33
7	B₂	3373	3373	47.37
8	B₂	968	968	7.22
9	B₂	359	359	0.12

Atom	y (Å)	z (Å)
O1	0.000	0.896
C2	0.642	-0.464
C3	-0.642	-0.464
H4	1.666	-0.800
H5	-1.666	-0.800

	O1	C2	C3	H4	H5
O1		1.5045	1.5045	2.3778	2.3778
C2	1.5045		1.2838	1.0780	2.3325
C3	1.5045	1.2838		2.3325	1.0780
H4	2.3778	1.0780	2.3325		3.3326
H5	2.3778	2.3325	1.0780	3.3326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.745	O1	C2	H4	133.392
O1	C3	C2	64.745	O1	C3	H5	133.392
C2	O1	C3	50.510	C2	C3	H5	161.863
C3	C2	H4	161.863

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP3=FULL/daug-cc-pVDZ

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=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)