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	hartrees
Energy at 0K	-152.057649
Energy at 298.15K
HF Energy	-151.593653
Nuclear repulsion energy	61.291987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3476	3276	2.79
2	A₁	1831	1725	2.90
3	A₁	1118	1053	14.23
4	A₁	910	858	52.25
5	A₂	545	514	0.00
6	B₁	508	479	96.88
7	B₂	3407	3210	41.35
8	B₂	977	920	6.86
9	B₂	362	341	0.07

Atom	y (Å)	z (Å)
O1	0.000	0.893
C2	0.637	-0.463
C3	-0.637	-0.463
H4	1.654	-0.794
H5	-1.654	-0.794

	O1	C2	C3	H4	H5
O1		1.4976	1.4976	2.3622	2.3622
C2	1.4976		1.2746	1.0693	2.3152
C3	1.4976	1.2746		2.3152	1.0693
H4	2.3622	1.0693	2.3152		3.3082
H5	2.3622	2.3152	1.0693	3.3082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.815	O1	C2	H4	133.221
O1	C3	C2	64.815	O1	C3	H5	133.221
C2	O1	C3	50.370	C2	C3	H5	161.964
C3	C2	H4	161.964

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)