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	hartrees
Energy at 0K	-152.299610
Energy at 298.15K
HF Energy	-151.648288
Nuclear repulsion energy	61.076994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3409	3409
2	A₁	1744	1744
3	A₁	1067	1067
4	A₁	870	870
5	A₂	598	598
6	B₁	516	516
7	B₂	3338	3338
8	B₂	944	944
9	B₂	179i	179i

Atom	y (Å)	z (Å)
O1	0.000	0.899
C2	0.637	-0.467
C3	-0.637	-0.467
H4	1.653	-0.797
H5	-1.653	-0.797

	O1	C2	C3	H4	H5
O1		1.5074	1.5074	2.3684	2.3684
C2	1.5074		1.2742	1.0679	2.3135
C3	1.5074	1.2742		2.3135	1.0679
H4	2.3684	1.0679	2.3135		3.3053
H5	2.3684	2.3135	1.0679	3.3053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.998	O1	C2	H4	133.024
O1	C3	C2	64.998	O1	C3	H5	133.024
C2	O1	C3	50.004	C2	C3	H5	161.978
C3	C2	H4	161.978

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP4=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)