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	hartrees
Energy at 0K	-152.123879
Energy at 298.15K
HF Energy	-151.602688
Nuclear repulsion energy	60.137876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3395	3311
2	A₁	1730	1687
3	A₁	1029	1004
4	A₁	836	815
5	A₂	462	451
6	B₁	460	449
7	B₂	3326	3244
8	B₂	915	892
9	B₂	256i	250i

Atom	y (Å)	z (Å)
O1	0.000	0.914
C2	0.647	-0.474
C3	-0.647	-0.474
H4	1.676	-0.811
H5	-1.676	-0.811

	O1	C2	C3	H4	H5
O1		1.5313	1.5313	2.4056	2.4056
C2	1.5313		1.2943	1.0832	2.3480
C3	1.5313	1.2943		2.3480	1.0832
H4	2.4056	1.0832	2.3480		3.3529
H5	2.4056	2.3480	1.0832	3.3529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	65.001	O1	C2	H4	133.149
O1	C3	C2	65.001	O1	C3	H5	133.149
C2	O1	C3	49.999	C2	C3	H5	161.851
C3	C2	H4	161.851

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP4=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: MP4=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)