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	hartrees
Energy at 0K	-152.154687
Energy at 298.15K
HF Energy	-151.648966
Nuclear repulsion energy	62.163532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3503	3503	3.68
2	A₁	1890	1890	3.68
3	A₁	1135	1135	18.72
4	A₁	947	947	64.41
5	A₂	726	726	0.00
6	B₁	606	606	85.51
7	B₂	3425	3425	59.78
8	B₂	1033	1033	6.32
9	B₂	376	376	1.51

Atom	y (Å)	z (Å)
O1	0.000	0.879
C2	0.627	-0.456
C3	-0.627	-0.456
H4	1.639	-0.781
H5	-1.639	-0.781

	O1	C2	C3	H4	H5
O1		1.4752	1.4752	2.3331	2.3331
C2	1.4752		1.2545	1.0627	2.2893
C3	1.4752	1.2545		2.2893	1.0627
H4	2.3331	1.0627	2.2893		3.2777
H5	2.3331	2.2893	1.0627	3.2777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.837	O1	C2	H4	132.994
O1	C3	C2	64.837	O1	C3	H5	132.994
C2	O1	C3	50.327	C2	C3	H5	162.169
C3	C2	H4	162.169

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CISD/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: CISD/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)