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	hartrees
Energy at 0K	-152.425750
Energy at 298.15K
HF Energy	-152.230427
Nuclear repulsion energy	61.406164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3424	3273	2.68	90.76	0.20	0.34
2	A₁	1808	1728	2.27	58.71	0.15	0.27
3	A₁	1069	1022	4.06	5.39	0.36	0.53
4	A₁	884	845	54.87	7.90	0.59	0.75
5	A₂	641	613	0.00	3.26	0.75	0.86
6	B₁	542	518	84.12	0.30	0.75	0.86
7	B₂	3348	3200	49.75	18.06	0.75	0.86
8	B₂	971	929	7.46	2.44	0.75	0.86
9	B₂	190i	181i	4.12	13.48	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.897
C2	0.631	-0.465
C3	-0.631	-0.465
H4	1.644	-0.798
H5	-1.644	-0.798

	O1	C2	C3	H4	H5
O1		1.5005	1.5005	2.3612	2.3612
C2	1.5005		1.2628	1.0661	2.2997
C3	1.5005	1.2628		2.2997	1.0661
H4	2.3612	1.0661	2.2997		3.2880
H5	2.3612	2.2997	1.0661	3.2880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	65.116	O1	C2	H4	133.117
O1	C3	C2	65.116	O1	C3	H5	133.117
C2	O1	C3	49.769	C2	C3	H5	161.767
C3	C2	H4	161.767

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)