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	hartrees
Energy at 0K	-152.301297
Energy at 298.15K
HF Energy	-151.646616
Nuclear repulsion energy	61.387375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3386	3386
2	A₁	1771	1771
3	A₁	1070	1070
4	A₁	877	877
5	A₂	598	598
6	B₁	511	511
7	B₂	3310	3310
8	B₂	956	956
9	B₂	135	135

Atom	y (Å)	z (Å)
O1	0.000	0.892
C2	0.636	-0.462
C3	-0.636	-0.462
H4	1.649	-0.799
H5	-1.649	-0.799

	O1	C2	C3	H4	H5
O1		1.4960	1.4960	2.3616	2.3616
C2	1.4960		1.2713	1.0674	2.3089
C3	1.4960	1.2713		2.3089	1.0674
H4	2.3616	1.0674	2.3089		3.2972
H5	2.3616	2.3089	1.0674	3.2972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.855	O1	C2	H4	133.531
O1	C3	C2	64.855	O1	C3	H5	133.531
C2	O1	C3	50.290	C2	C3	H5	161.615
C3	C2	H4	161.615

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: QCISD(T)=FULL/daug-cc-pVTZ

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(T)=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)