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	hartrees
Energy at 0K	-152.094483
Energy at 298.15K
HF Energy	-151.605912
Nuclear repulsion energy	60.687511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3411	3411	2.79
2	A₁	1785	1785	3.51
3	A₁	1062	1062	11.81
4	A₁	873	873	54.62
5	A₂	554	554	0.00
6	B₁	513	513	78.70
7	B₂	3342	3342	46.26
8	B₂	952	952	6.86
9	B₂	245	245	0.51

Atom	y (Å)	z (Å)
O1	0.000	0.902
C2	0.643	-0.467
C3	-0.643	-0.467
H4	1.671	-0.803
H5	-1.671	-0.803

	O1	C2	C3	H4	H5
O1		1.5126	1.5126	2.3866	2.3866
C2	1.5126		1.2867	1.0807	2.3382
C3	1.5126	1.2867		2.3382	1.0807
H4	2.3866	1.0807	2.3382		3.3414
H5	2.3866	2.3382	1.0807	3.3414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.829	O1	C2	H4	133.244
O1	C3	C2	64.829	O1	C3	H5	133.244
C2	O1	C3	50.343	C2	C3	H5	161.928
C3	C2	H4	161.928

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CCSD/daug-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/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)