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	hartrees
Energy at 0K	-152.147919
Energy at 298.15K
HF Energy	-151.651762
Nuclear repulsion energy	62.163756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3512	3512	3.12
2	A₁	1892	1892	2.64
3	A₁	1140	1140	15.02
4	A₁	948	948	60.48
5	A₂	724	724	0.00
6	B₁	607	607	89.86
7	B₂	3436	3436	57.61
8	B₂	1024	1024	6.01
9	B₂	368	368	2.50

Atom	y (Å)	z (Å)
O1	0.000	0.879
C2	0.627	-0.456
C3	-0.627	-0.456
H4	1.638	-0.781
H5	-1.638	-0.781

	O1	C2	C3	H4	H5
O1		1.4754	1.4754	2.3330	2.3330
C2	1.4754		1.2543	1.0623	2.2888
C3	1.4754	1.2543		2.2888	1.0623
H4	2.3330	1.0623	2.2888		3.2768
H5	2.3330	2.2888	1.0623	3.2768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.844	O1	C2	H4	132.992
O1	C3	C2	64.844	O1	C3	H5	132.992
C2	O1	C3	50.311	C2	C3	H5	162.164
C3	C2	H4	162.164

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CISD/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: CISD/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)