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	hartrees
Energy at 0K	-152.199378
Energy at 298.15K
HF Energy	-151.643586
Nuclear repulsion energy	61.704454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3438	3210	2.71
2	A₁	1825	1704	2.00
3	A₁	1123	1049	10.61
4	A₁	917	856	51.51
5	A₂	650	607	0.00
6	B₁	542	506	81.64
7	B₂	3363	3140	44.92
8	B₂	999	933	6.33
9	B₂	376	351	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.886
C2	0.633	-0.459
C3	-0.633	-0.459
H4	1.647	-0.790
H5	-1.647	-0.790

	O1	C2	C3	H4	H5
O1		1.4863	1.4863	2.3505	2.3505
C2	1.4863		1.2651	1.0677	2.3040
C3	1.4863	1.2651		2.3040	1.0677
H4	2.3505	1.0677	2.3040		3.2950
H5	2.3505	2.3040	1.0677	3.2950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.811	O1	C2	H4	133.277
O1	C3	C2	64.811	O1	C3	H5	133.277
C2	O1	C3	50.378	C2	C3	H5	161.912
C3	C2	H4	161.912

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)