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	hartrees
Energy at 0K
Energy at 298.15K	0.083535
HF Energy	0.083535
Nuclear repulsion energy	47.236319

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	3293	3208	14.82	16.42	0.28	0.44
2	A₁	1948	1898	1.26	130.78	0.22	0.36
3	A₁	1194	1163	10.27	29.18	0.75	0.86
4	A₁	937	913	23.33	6.97	0.75	0.86
5	A₂	843	822	0.00	47.86	0.75	0.86
6	B₁	749	729	103.03	0.18	0.75	0.86
7	B₂	3243	3158	205.73	4.89	0.75	0.86
8	B₂	1021	994	0.18	0.28	0.75	0.86
9	B₂	668	651	11.09	66.33	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.858
C2	0.649	-0.444
C3	-0.649	-0.444
H4	1.674	-0.767
H5	-1.674	-0.767

	O1	C2	C3	H4	H5
O1		1.4554	1.4554	2.3335	2.3335
C2	1.4554		1.2974	1.0748	2.3448
C3	1.4554	1.2974		2.3448	1.0748
H4	2.3335	1.0748	2.3448		3.3476
H5	2.3335	2.3448	1.0748	3.3476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	63.531	O1	C2	H4	133.957
O1	C3	C2	63.531	O1	C3	H5	133.957
C2	O1	C3	52.937	C2	C3	H5	162.511
C3	C2	H4	162.511

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: PM3

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: PM3

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)