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	hartrees
Energy at 0K	-152.300442
Energy at 298.15K
HF Energy	-151.646728
Nuclear repulsion energy	61.421656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3388	3388
2	A₁	1773	1773
3	A₁	1073	1073
4	A₁	879	879
5	A₂	601	601
6	B₁	512	512
7	B₂	3311	3311
8	B₂	957	957
9	B₂	183	183

Atom	y (Å)	z (Å)
O1	0.000	0.892
C2	0.635	-0.461
C3	-0.635	-0.461
H4	1.648	-0.798
H5	-1.648	-0.798

	O1	C2	C3	H4	H5
O1		1.4948	1.4948	2.3607	2.3607
C2	1.4948		1.2710	1.0673	2.3084
C3	1.4948	1.2710		2.3084	1.0673
H4	2.3607	1.0673	2.3084		3.2964
H5	2.3607	2.3084	1.0673	3.2964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.841	O1	C2	H4	133.568
O1	C3	C2	64.841	O1	C3	H5	133.568
C2	O1	C3	50.319	C2	C3	H5	161.591
C3	C2	H4	161.591

All results from a given calculation for C₂H₂O (Oxirene)

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

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)