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	hartrees
Energy at 0K	-152.233066
Energy at 298.15K
HF Energy	-151.641545
Nuclear repulsion energy	61.142222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3404	3229
2	A₁	1759	1669
3	A₁	1073	1018
4	A₁	873	829
5	A₂	566	536
6	B₁	492	467
7	B₂	3333	3162
8	B₂	959	909
9	B₂	87i	82i

Atom	y (Å)	z (Å)
O1	0.000	0.897
C2	0.638	-0.465
C3	-0.638	-0.465
H4	1.654	-0.798
H5	-1.654	-0.798

	O1	C2	C3	H4	H5
O1		1.5035	1.5035	2.3682	2.3682
C2	1.5035		1.2751	1.0698	2.3159
C3	1.5035	1.2751		2.3159	1.0698
H4	2.3682	1.0698	2.3159		3.3085
H5	2.3682	2.3159	1.0698	3.3085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.909	O1	C2	H4	133.227
O1	C3	C2	64.909	O1	C3	H5	133.227
C2	O1	C3	50.183	C2	C3	H5	161.864
C3	C2	H4	161.864

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)