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	hartrees
Energy at 0K	-152.057530
Energy at 298.15K
HF Energy	-151.591548
Nuclear repulsion energy	60.839515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3421	3241	2.31
2	A₁	1795	1700	1.13
3	A₁	1087	1030	5.09
4	A₁	875	829	41.03
5	A₂	567	537	0.00
6	B₁	502	476	70.91
7	B₂	3353	3176	42.56
8	B₂	945	895	5.45
9	B₂	135	128	3.16

Atom	y (Å)	z (Å)
O1	0.000	0.897
C2	0.643	-0.464
C3	-0.643	-0.464
H4	1.672	-0.802
H5	-1.672	-0.802

	O1	C2	C3	H4	H5
O1		1.5054	1.5054	2.3840	2.3840
C2	1.5054		1.2865	1.0832	2.3401
C3	1.5054	1.2865		2.3401	1.0832
H4	2.3840	1.0832	2.3401		3.3447
H5	2.3840	2.3401	1.0832	3.3447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.705	O1	C2	H4	133.474
O1	C3	C2	64.705	O1	C3	H5	133.474
C2	O1	C3	50.591	C2	C3	H5	161.821
C3	C2	H4	161.821

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CCSD/cc-pVDZ

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: CCSD/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)