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	hartrees
Energy at 0K	-151.829858
Energy at 298.15K
HF Energy	-151.504820
Nuclear repulsion energy	58.554053

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	3437	3265	3.31	101.53	0.17	0.30
2	A₁	1716	1630	2.70	22.24	0.22	0.36
3	A₁	1036	984	0.00	2.70	0.37	0.54
4	A₁	828	787	29.45	8.76	0.38	0.55
5	A₂	495	470	0.00	0.47	0.75	0.86
6	B₁	529	503	115.35	0.84	0.75	0.86
7	B₂	3369	3201	31.58	21.27	0.75	0.86
8	B₂	959	911	10.91	1.29	0.75	0.86
9	B₂	111	105	0.58	15.17	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.968
C2	0.647	-0.502
C3	-0.647	-0.502
H4	1.659	-0.863
H5	-1.659	-0.863

	O1	C2	C3	H4	H5
O1		1.6064	1.6064	2.4711	2.4711
C2	1.6064		1.2949	1.0742	2.3347
C3	1.6064	1.2949		2.3347	1.0742
H4	2.4711	1.0742	2.3347		3.3182
H5	2.4711	2.3347	1.0742	3.3182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	66.231	O1	C2	H4	133.422
O1	C3	C2	66.231	O1	C3	H5	133.422
C2	O1	C3	47.539	C2	C3	H5	160.347
C3	C2	H4	160.347

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP2=FULL/6-31G

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: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)