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	hartrees
Energy at 0K	-152.355566
Energy at 298.15K
HF Energy	-152.194240
Nuclear repulsion energy	60.788447

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	3422	3292	3.13	96.64	0.17	0.30
2	A₁	1797	1728	4.07	83.47	0.09	0.17
3	A₁	1042	1003	7.83	6.21	0.48	0.65
4	A₁	866	833	62.34	7.70	0.70	0.83
5	A₂	576	554	0.00	4.76	0.75	0.86
6	B₁	511	491	86.40	0.06	0.75	0.86
7	B₂	3351	3223	56.34	17.75	0.75	0.86
8	B₂	945	909	8.25	2.32	0.75	0.86
9	B₂	197i	190i	2.33	16.46	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.904
C2	0.639	-0.469
C3	-0.639	-0.469
H4	1.663	-0.805
H5	-1.663	-0.805

	O1	C2	C3	H4	H5
O1		1.5144	1.5144	2.3843	2.3843
C2	1.5144		1.2779	1.0774	2.3259
C3	1.5144	1.2779		2.3259	1.0774
H4	2.3843	1.0774	2.3259		3.3252
H5	2.3843	2.3259	1.0774	3.3252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	65.044	O1	C2	H4	133.128
O1	C3	C2	65.044	O1	C3	H5	133.128
C2	O1	C3	49.913	C2	C3	H5	161.829
C3	C2	H4	161.829

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)