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	hartrees
Energy at 0K	-152.052938
Energy at 298.15K
HF Energy	-151.592035
Nuclear repulsion energy	60.993150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3427	3279	2.31
2	A₁	1807	1728	1.21
3	A₁	1110	1062	7.49
4	A₁	888	850	41.06
5	A₂	597	571	0.00
6	B₁	509	487	72.36
7	B₂	3358	3213	39.88
8	B₂	957	916	5.47
9	B₂	307	294	1.31

Atom	y (Å)	z (Å)
O1	0.000	0.893
C2	0.642	-0.462
C3	-0.642	-0.462
H4	1.671	-0.801
H5	-1.671	-0.801

	O1	C2	C3	H4	H5
O1		1.4998	1.4998	2.3799	2.3799
C2	1.4998		1.2850	1.0830	2.3382
C3	1.4998	1.2850		2.3382	1.0830
H4	2.3799	1.0830	2.3382		3.3419
H5	2.3799	2.3382	1.0830	3.3419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.634	O1	C2	H4	133.633
O1	C3	C2	64.634	O1	C3	H5	133.633
C2	O1	C3	50.731	C2	C3	H5	161.732
C3	C2	H4	161.732

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)