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	hartrees
Energy at 0K	-152.296877
Energy at 298.15K
HF Energy	-151.646397
Nuclear repulsion energy	61.418691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3412	3289
2	A₁	1772	1708
3	A₁	1072	1033
4	A₁	879	847
5	A₂	618	596
6	B₁	505	487
7	B₂	3315	3194
8	B₂	961	926
9	B₂	179	172

Atom	y (Å)	z (Å)
O1	0.000	0.892
C2	0.635	-0.462
C3	-0.635	-0.462
H4	1.646	-0.797
H5	-1.646	-0.797

	O1	C2	C3	H4	H5
O1		1.4958	1.4958	2.3591	2.3591
C2	1.4958		1.2708	1.0651	2.3062
C3	1.4958	1.2708		2.3062	1.0651
H4	2.3591	1.0651	2.3062		3.2925
H5	2.3591	2.3062	1.0651	3.2925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.862	O1	C2	H4	133.502
O1	C3	C2	64.862	O1	C3	H5	133.502
C2	O1	C3	50.275	C2	C3	H5	161.636
C3	C2	H4	161.636

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CCSD(T)=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: CCSD(T)=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)