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	hartrees
Energy at 0K	-151.841726
Energy at 298.15K
HF Energy	-151.527537
Nuclear repulsion energy	58.136498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3426	3300	0.65	107.37	0.16	0.28
2	A₁	1661	1600	5.37	26.44	0.19	0.32
3	A₁	1023	986	0.40	4.79	0.35	0.52
4	A₁	837	806	43.83	9.50	0.30	0.46
5	A₂	622	599	0.00	3.25	0.75	0.86
6	B₁	556	535	129.71	0.13	0.75	0.86
7	B₂	3357	3233	31.01	21.70	0.75	0.86
8	B₂	956	921	11.76	0.50	0.75	0.86
9	B₂	165	159	1.03	20.17	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.971
C2	0.656	-0.505
C3	-0.656	-0.505
H4	1.675	-0.856
H5	-1.675	-0.856

	O1	C2	C3	H4	H5
O1		1.6147	1.6147	2.4783	2.4783
C2	1.6147		1.3125	1.0777	2.3577
C3	1.6147	1.3125		2.3577	1.0777
H4	2.4783	1.0777	2.3577		3.3504
H5	2.4783	2.3577	1.0777	3.3504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	66.020	O1	C2	H4	132.988
O1	C3	C2	66.020	O1	C3	H5	132.988
C2	O1	C3	47.959	C2	C3	H5	160.991
C3	C2	H4	160.991

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)