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	hartrees
Energy at 0K	-152.211247
Energy at 298.15K
HF Energy	-151.645978
Nuclear repulsion energy	61.198068

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	3424	3424	3.17	103.64	0.16	0.27
2	A₁	1766	1766	4.60	60.44	0.06	0.11
3	A₁	1081	1081	10.32	5.72	0.39	0.56
4	A₁	882	882	59.06	4.85	0.68	0.81
5	A₂	629	629	0.00	2.51	0.75	0.86
6	B₁	517	517	80.95	0.02	0.75	0.86
7	B₂	3353	3353	57.52	15.99	0.75	0.86
8	B₂	965	965	7.73	1.60	0.75	0.86
9	B₂	169	169	0.96	16.31	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.896
C2	0.637	-0.465
C3	-0.637	-0.465
H4	1.652	-0.797
H5	-1.652	-0.797

	O1	C2	C3	H4	H5
O1		1.5026	1.5026	2.3663	2.3663
C2	1.5026		1.2730	1.0690	2.3130
C3	1.5026	1.2730		2.3130	1.0690
H4	2.3663	1.0690	2.3130		3.3048
H5	2.3663	2.3130	1.0690	3.3048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.937	O1	C2	H4	133.194
O1	C3	C2	64.937	O1	C3	H5	133.194
C2	O1	C3	50.125	C2	C3	H5	161.868
C3	C2	H4	161.868

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP2/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: MP2/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)