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	hartrees
Energy at 0K	-152.296334
Energy at 298.15K
HF Energy	-151.649013
Nuclear repulsion energy	61.271930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3410	3410
2	A₁	1757	1757
3	A₁	1075	1075
4	A₁	878	878
5	A₂	590	590
6	B₁	512	512
7	B₂	3339	3339
8	B₂	952	952
9	B₂	150	150

Atom	y (Å)	z (Å)
O1	0.000	0.894
C2	0.636	-0.464
C3	-0.636	-0.464
H4	1.652	-0.794
H5	-1.652	-0.794

	O1	C2	C3	H4	H5
O1		1.5002	1.5002	2.3618	2.3618
C2	1.5002		1.2727	1.0676	2.3118
C3	1.5002	1.2727		2.3118	1.0676
H4	2.3618	1.0676	2.3118		3.3035
H5	2.3618	2.3118	1.0676	3.3035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.900	O1	C2	H4	133.083
O1	C3	C2	64.900	O1	C3	H5	133.083
C2	O1	C3	50.199	C2	C3	H5	162.016
C3	C2	H4	162.016

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: QCISD(T)=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: QCISD(T)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)