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	hartrees
Energy at 0K	-152.247198
Energy at 298.15K
HF Energy	-151.645263
Nuclear repulsion energy	61.124277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3395	3282
2	A₁	1755	1696
3	A₁	1060	1025
4	A₁	870	841
5	A₂	588	568
6	B₁	505	488
7	B₂	3322	3212
8	B₂	957	925
9	B₂	152	147

Atom	y (Å)	z (Å)
O1	0.000	0.897
C2	0.638	-0.465
C3	-0.638	-0.465
H4	1.656	-0.796
H5	-1.656	-0.796

	O1	C2	C3	H4	H5
O1		1.5039	1.5039	2.3678	2.3678
C2	1.5039		1.2754	1.0704	2.3171
C3	1.5039	1.2754		2.3171	1.0704
H4	2.3678	1.0704	2.3171		3.3115
H5	2.3678	2.3171	1.0704	3.3115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.911	O1	C2	H4	133.078
O1	C3	C2	64.911	O1	C3	H5	133.078
C2	O1	C3	50.177	C2	C3	H5	162.011
C3	C2	H4	162.011

All results from a given calculation for C₂H₂O (Oxirene)

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

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)