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	hartrees
Energy at 0K	-152.036187
Energy at 298.15K
HF Energy	-151.580657
Nuclear repulsion energy	61.041109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3433	3270	1.63
2	A₁	1818	1731	0.74
3	A₁	1096	1044	3.81
4	A₁	890	847	42.68
5	A₂	461	439	0.00
6	B₁	494	470	79.97
7	B₂	3364	3204	31.56
8	B₂	948	903	6.55
9	B₂	122	116	0.44

Atom	y (Å)	z (Å)
O1	0.000	0.898
C2	0.637	-0.466
C3	-0.637	-0.466
H4	1.661	-0.797
H5	-1.661	-0.797

	O1	C2	C3	H4	H5
O1		1.5062	1.5062	2.3731	2.3731
C2	1.5062		1.2748	1.0753	2.3216
C3	1.5062	1.2748		2.3216	1.0753
H4	2.3731	1.0753	2.3216		3.3212
H5	2.3731	2.3216	1.0753	3.3212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.964	O1	C2	H4	132.940
O1	C3	C2	64.964	O1	C3	H5	132.940
C2	O1	C3	50.071	C2	C3	H5	162.096
C3	C2	H4	162.096

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)