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	hartrees
Energy at 0K	-152.243851
Energy at 298.15K
HF Energy	-151.644218
Nuclear repulsion energy	61.947207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3477	3242	3.16
2	A₁	1846	1722	2.14
3	A₁	1133	1057	10.62
4	A₁	928	865	50.94
5	A₂	650	606	0.00
6	B₁	548	511	83.62
7	B₂	3388	3159	48.58
8	B₂	1003	935	6.61
9	B₂	388	361	1.28

Atom	y (Å)	z (Å)
O1	0.000	0.883
C2	0.630	-0.457
C3	-0.630	-0.457
H4	1.639	-0.789
H5	-1.639	-0.789

	O1	C2	C3	H4	H5
O1		1.4808	1.4808	2.3409	2.3409
C2	1.4808		1.2608	1.0615	2.2932
C3	1.4808	1.2608		2.2932	1.0615
H4	2.3409	1.0615	2.2932		3.2774
H5	2.3409	2.2932	1.0615	3.2774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.804	O1	C2	H4	133.414
O1	C3	C2	64.804	O1	C3	H5	133.414
C2	O1	C3	50.393	C2	C3	H5	161.782
C3	C2	H4	161.782

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP3=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)