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	hartrees
Energy at 0K	-152.297735
Energy at 298.15K
HF Energy	-151.646285
Nuclear repulsion energy	61.384438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3411	3411
2	A₁	1769	1769
3	A₁	1068	1068
4	A₁	877	877
5	A₂	615	615
6	B₁	504	504
7	B₂	3314	3314
8	B₂	959	959
9	B₂	137	137

Atom	y (Å)	z (Å)
O1	0.000	0.893
C2	0.636	-0.462
C3	-0.636	-0.462
H4	1.647	-0.797
H5	-1.647	-0.797

	O1	C2	C3	H4	H5
O1		1.4970	1.4970	2.3599	2.3599
C2	1.4970		1.2711	1.0652	2.3067
C3	1.4970	1.2711		2.3067	1.0652
H4	2.3599	1.0652	2.3067		3.2934
H5	2.3599	2.3067	1.0652	3.2934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.877	O1	C2	H4	133.458
O1	C3	C2	64.877	O1	C3	H5	133.458
C2	O1	C3	50.246	C2	C3	H5	161.665
C3	C2	H4	161.665

All results from a given calculation for C₂H₂O (Oxirene)

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

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)