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	hartrees
Energy at 0K	-152.058874
Energy at 298.15K
HF Energy	-151.591330
Nuclear repulsion energy	60.780142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3419	3280	2.19
2	A₁	1788	1716	1.00
3	A₁	1079	1035	4.62
4	A₁	870	835	41.68
5	A₂	557	535	0.00
6	B₁	499	479	70.40
7	B₂	3351	3215	43.05
8	B₂	941	903	5.50
9	B₂	156i	150i	2.99

Atom	y (Å)	z (Å)
O1	0.000	0.898
C2	0.644	-0.465
C3	-0.644	-0.465
H4	1.673	-0.802
H5	-1.673	-0.802

	O1	C2	C3	H4	H5
O1		1.5075	1.5075	2.3856	2.3856
C2	1.5075		1.2872	1.0833	2.3411
C3	1.5075	1.2872		2.3411	1.0833
H4	2.3856	1.0833	2.3411		3.3461
H5	2.3856	2.3411	1.0833	3.3461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.727	O1	C2	H4	133.419
O1	C3	C2	64.727	O1	C3	H5	133.419
C2	O1	C3	50.547	C2	C3	H5	161.854
C3	C2	H4	161.854

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: QCISD/cc-pVDZ

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-pVDZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)