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	hartrees
Energy at 0K	-152.258773
Energy at 298.15K
HF Energy	-151.646539
Nuclear repulsion energy	61.429148

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	3443	3276	3.34	100.93	0.16	0.27
2	A₁	1780	1694	4.58	58.17	0.07	0.13
3	A₁	1084	1031	10.39	6.27	0.38	0.55
4	A₁	887	844	59.47	5.23	0.65	0.79
5	A₂	657	625	0.00	2.78	0.75	0.86
6	B₁	521	495	81.62	0.04	0.75	0.86
7	B₂	3346	3183	57.89	15.84	0.75	0.86
8	B₂	966	919	7.90	1.70	0.75	0.86
9	B₂	149	141	1.12	16.16	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.893
C2	0.634	-0.463
C3	-0.634	-0.463
H4	1.644	-0.797
H5	-1.644	-0.797

	O1	C2	C3	H4	H5
O1		1.4970	1.4970	2.3579	2.3579
C2	1.4970		1.2687	1.0638	2.3030
C3	1.4970	1.2687		2.3030	1.0638
H4	2.3579	1.0638	2.3030		3.2886
H5	2.3579	2.3030	1.0638	3.2886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.928	O1	C2	H4	133.373
O1	C3	C2	64.928	O1	C3	H5	133.373
C2	O1	C3	50.144	C2	C3	H5	161.699
C3	C2	H4	161.699

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)