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	hartrees
Energy at 0K	-152.063745
Energy at 298.15K
HF Energy	-151.591737
Nuclear repulsion energy	60.880479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3427	3427	2.33
2	A₁	1797	1797	1.13
3	A₁	1088	1088	5.04
4	A₁	876	876	41.23
5	A₂	571	571	0.00
6	B₁	506	506	70.88
7	B₂	3358	3358	42.97
8	B₂	946	946	5.42
9	B₂	132	132	3.20

Atom	y (Å)	z (Å)
O1	0.000	0.896
C2	0.643	-0.464
C3	-0.643	-0.464
H4	1.671	-0.801
H5	-1.671	-0.801

	O1	C2	C3	H4	H5
O1		1.5044	1.5044	2.3822	2.3822
C2	1.5044		1.2856	1.0824	2.3386
C3	1.5044	1.2856		2.3386	1.0824
H4	2.3822	1.0824	2.3386		3.3426
H5	2.3822	2.3386	1.0824	3.3426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.705	O1	C2	H4	133.453
O1	C3	C2	64.705	O1	C3	H5	133.453
C2	O1	C3	50.590	C2	C3	H5	161.842
C3	C2	H4	161.842

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CCSD=FULL/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=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)