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	hartrees
Energy at 0K	-152.338738
Energy at 298.15K
HF Energy	-152.181790
Nuclear repulsion energy	61.073281

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	3445	3445	3.08	91.89	0.21	0.35
2	A₁	1814	1814	3.25	74.62	0.10	0.19
3	A₁	1065	1065	7.27	7.05	0.65	0.79
4	A₁	879	879	61.65	9.29	0.71	0.83
5	A₂	590	590	0.00	6.65	0.75	0.86
6	B₁	530	530	99.47	0.02	0.75	0.86
7	B₂	3376	3376	55.20	17.88	0.75	0.86
8	B₂	957	957	7.15	2.02	0.75	0.86
9	B₂	207i	207i	3.24	20.05	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.900
C2	0.636	-0.467
C3	-0.636	-0.467
H4	1.655	-0.796
H5	-1.655	-0.796

	O1	C2	C3	H4	H5
O1		1.5078	1.5078	2.3693	2.3693
C2	1.5078		1.2723	1.0705	2.3146
C3	1.5078	1.2723		2.3146	1.0705
H4	2.3693	1.0705	2.3146		3.3101
H5	2.3693	2.3146	1.0705	3.3101

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	65.046	O1	C2	H4	132.813
O1	C3	C2	65.046	O1	C3	H5	132.813
C2	O1	C3	49.908	C2	C3	H5	162.141
C3	C2	H4	162.141

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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=FULLultrafine/6-31+G**

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)