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	hartrees
Energy at 0K	-152.096319
Energy at 298.15K
HF Energy	-151.605629
Nuclear repulsion energy	60.610750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3409	3409	2.62
2	A₁	1780	1780	3.20
3	A₁	1053	1053	10.66
4	A₁	867	867	56.03
5	A₂	546	546	0.00
6	B₁	511	511	77.57
7	B₂	3340	3340	47.02
8	B₂	948	948	6.87
9	B₂	160	160	0.46

Atom	y (Å)	z (Å)
O1	0.000	0.904
C2	0.644	-0.469
C3	-0.644	-0.469
H4	1.672	-0.803
H5	-1.672	-0.803

	O1	C2	C3	H4	H5
O1		1.5156	1.5156	2.3885	2.3885
C2	1.5156		1.2874	1.0808	2.3392
C3	1.5156	1.2874		2.3392	1.0808
H4	2.3885	1.0808	2.3392		3.3431
H5	2.3885	2.3392	1.0808	3.3431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.868	O1	C2	H4	133.138
O1	C3	C2	64.868	O1	C3	H5	133.138
C2	O1	C3	50.265	C2	C3	H5	161.994
C3	C2	H4	161.994

All results from a given calculation for C₂H₂O (Oxirene)

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

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)