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	hartrees
Energy at 0K	-150.250430
Energy at 298.15K
HF Energy	-150.183539
Nuclear repulsion energy	59.755883

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	3619	3619	13.93	55.38	0.22	0.36
2	A₁	1850	1850	0.01	19.22	0.20	0.33
3	A₁	1233	1233	0.26	2.55	0.27	0.43
4	A₁	950	950	1.30	7.60	0.68	0.81
5	A₂	740	740	0.00	0.07	0.75	0.86
6	B₁	592	592	43.47	0.79	0.75	0.86
7	B₂	3529	3529	119.08	18.35	0.75	0.86
8	B₂	1016	1016	10.39	2.80	0.75	0.86
9	B₂	551	551	3.17	9.61	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.929
C2	0.649	-0.470
C3	-0.649	-0.470
H4	1.652	-0.898
H5	-1.652	-0.898

	O1	C2	C3	H4	H5
O1		1.5418	1.5418	2.4633	2.4633
C2	1.5418		1.2981	1.0908	2.3408
C3	1.5418	1.2981		2.3408	1.0908
H4	2.4633	1.0908	2.3408		3.3043
H5	2.4633	2.3408	1.0908	3.3043

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	65.105	O1	C2	H4	138.025
O1	C3	C2	65.105	O1	C3	H5	138.025
C2	O1	C3	49.789	C2	C3	H5	156.870
C3	C2	H4	156.870

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: B2PLYP=FULL/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)