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	hartrees
Energy at 0K	-152.237923
Energy at 298.15K
HF Energy	-151.642786
Nuclear repulsion energy	61.430512

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	3455	3280	2.89	96.54	0.20	0.33
2	A₁	1785	1695	2.63	38.41	0.14	0.24
3	A₁	1098	1042	5.09	5.90	0.29	0.46
4	A₁	894	849	51.14	6.18	0.52	0.68
5	A₂	614	583	0.00	1.95	0.75	0.86
6	B₁	517	490	82.53	0.28	0.75	0.86
7	B₂	3370	3199	52.84	16.34	0.75	0.86
8	B₂	971	922	7.13	1.78	0.75	0.86
9	B₂	132	126	2.33	14.19	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.893
C2	0.634	-0.463
C3	-0.634	-0.463
H4	1.644	-0.796
H5	-1.644	-0.796

	O1	C2	C3	H4	H5
O1		1.4974	1.4974	2.3572	2.3572
C2	1.4974		1.2680	1.0636	2.3025
C3	1.4974	1.2680		2.3025	1.0636
H4	2.3572	1.0636	2.3025		3.2887
H5	2.3572	2.3025	1.0636	3.2887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.951	O1	C2	H4	133.262
O1	C3	C2	64.951	O1	C3	H5	133.262
C2	O1	C3	50.099	C2	C3	H5	161.787
C3	C2	H4	161.787

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP2=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: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)