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	hartrees
Energy at 0K	-151.016296
Energy at 298.15K
HF Energy	-150.726911
Nuclear repulsion energy	59.422035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3466	3229	4.60
2	A₁	1814	1690	1.29
3	A₁	1049	977	2.73
4	A₁	864	805	14.38
5	A₂	654	609	0.00
6	B₁	610	568	112.63
7	B₂	3392	3160	31.40
8	B₂	983	916	10.98
9	B₂	423	394	1.99

Atom	y (Å)	z (Å)
O1	0.000	0.955
C2	0.636	-0.493
C3	-0.636	-0.493
H4	1.637	-0.862
H5	-1.637	-0.862

	O1	C2	C3	H4	H5
O1		1.5816	1.5816	2.4460	2.4460
C2	1.5816		1.2726	1.0670	2.3034
C3	1.5816	1.2726		2.3034	1.0670
H4	2.4460	1.0670	2.3034		3.2747
H5	2.4460	2.3034	1.0670	3.2747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	66.276	O1	C2	H4	133.974
O1	C3	C2	66.276	O1	C3	H5	133.974
C2	O1	C3	47.448	C2	C3	H5	159.750
C3	C2	H4	159.750

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CID/3-21G

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: CID/3-21G

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)