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	hartrees
Energy at 0K	-152.094075
Energy at 298.15K
HF Energy	-151.604941
Nuclear repulsion energy	60.597549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3410	3304	2.70
2	A₁	1781	1725	3.25
3	A₁	1054	1021	10.10
4	A₁	867	840	56.36
5	A₂	513	497	0.00
6	B₁	492	477	79.03
7	B₂	3342	3237	46.51
8	B₂	943	914	7.37
9	B₂	156	152	0.47

Atom	y (Å)	z (Å)
O1	0.000	0.904
C2	0.644	-0.468
C3	-0.644	-0.468
H4	1.672	-0.805
H5	-1.672	-0.805

	O1	C2	C3	H4	H5
O1		1.5158	1.5158	2.3906	2.3906
C2	1.5158		1.2873	1.0819	2.3399
C3	1.5158	1.2873		2.3399	1.0819
H4	2.3906	1.0819	2.3399		3.3438
H5	2.3906	2.3399	1.0819	3.3438

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.873	O1	C2	H4	133.245
O1	C3	C2	64.873	O1	C3	H5	133.245
C2	O1	C3	50.254	C2	C3	H5	161.882
C3	C2	H4	161.882

All results from a given calculation for C₂H₂O (Oxirene)

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

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)