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	hartrees
Energy at 0K	-152.267271
Energy at 298.15K
HF Energy	-151.648415
Nuclear repulsion energy	61.986371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3439	3439	3.78
2	A₁	1843	1843	3.73
3	A₁	1125	1125	18.19
4	A₁	923	923	54.96
5	A₂	676	676	0.00
6	B₁	554	554	82.15
7	B₂	3360	3360	51.21
8	B₂	993	993	7.25
9	B₂	395	395	0.43

Atom	y (Å)	z (Å)
O1	0.000	0.881
C2	0.631	-0.455
C3	-0.631	-0.455
H4	1.640	-0.792
H5	-1.640	-0.792

	O1	C2	C3	H4	H5
O1		1.4780	1.4780	2.3426	2.3426
C2	1.4780		1.2614	1.0638	2.2954
C3	1.4780	1.2614		2.2954	1.0638
H4	2.3426	1.0638	2.2954		3.2800
H5	2.3426	2.2954	1.0638	3.2800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.739	O1	C2	H4	133.680
O1	C3	C2	64.739	O1	C3	H5	133.680
C2	O1	C3	50.523	C2	C3	H5	161.581
C3	C2	H4	161.581

All results from a given calculation for C₂H₂O (Oxirene)

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

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)