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	hartrees
Energy at 0K	-152.205998
Energy at 298.15K
HF Energy	-151.643027
Nuclear repulsion energy	61.505712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3431	3279	2.65
2	A₁	1807	1727	1.82
3	A₁	1097	1048	6.98
4	A₁	901	861	52.31
5	A₂	620	593	0.00
6	B₁	534	511	80.24
7	B₂	3357	3208	46.94
8	B₂	986	942	6.28
9	B₂	220	211	2.03

Atom	y (Å)	z (Å)
O1	0.000	0.890
C2	0.634	-0.462
C3	-0.634	-0.462
H4	1.649	-0.792
H5	-1.649	-0.792

	O1	C2	C3	H4	H5
O1		1.4931	1.4931	2.3559	2.3559
C2	1.4931		1.2675	1.0679	2.3069
C3	1.4931	1.2675		2.3069	1.0679
H4	2.3559	1.0679	2.3069		3.2987
H5	2.3559	2.3069	1.0679	3.2987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.884	O1	C2	H4	133.129
O1	C3	C2	64.884	O1	C3	H5	133.129
C2	O1	C3	50.232	C2	C3	H5	161.987
C3	C2	H4	161.987

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: QCISD/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/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)