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	hartrees
Energy at 0K	-152.085335
Energy at 298.15K
HF Energy	-151.604084
Nuclear repulsion energy	60.409798

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	3432	3326	2.95	109.26	0.16	0.28
2	A₁	1754	1700	5.00	56.99	0.07	0.14
3	A₁	1058	1026	9.61	6.91	0.36	0.53
4	A₁	860	833	57.84	6.07	0.61	0.76
5	A₂	523	507	0.00	2.67	0.75	0.86
6	B₁	479	464	85.21	0.05	0.75	0.86
7	B₂	3363	3260	53.88	17.27	0.75	0.86
8	B₂	936	908	8.58	1.62	0.75	0.86
9	B₂	60i	58i	0.69	17.05	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.908
C2	0.645	-0.471
C3	-0.645	-0.471
H4	1.671	-0.809
H5	-1.671	-0.809

	O1	C2	C3	H4	H5
O1		1.5227	1.5227	2.3964	2.3964
C2	1.5227		1.2903	1.0803	2.3408
C3	1.5227	1.2903		2.3408	1.0803
H4	2.3964	1.0803	2.3408		3.3420
H5	2.3964	2.3408	1.0803	3.3420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.931	O1	C2	H4	133.329
O1	C3	C2	64.931	O1	C3	H5	133.329
C2	O1	C3	50.137	C2	C3	H5	161.740
C3	C2	H4	161.740

All results from a given calculation for C₂H₂O (Oxirene)

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

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-pVDZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)