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	hartrees
Energy at 0K	-152.128638
Energy at 298.15K
HF Energy	-151.637814
Nuclear repulsion energy	61.362789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3446	3292	2.37
2	A₁	1812	1731	2.44
3	A₁	1094	1045	5.72
4	A₁	894	855	51.83
5	A₂	507	485	0.00
6	B₁	510	488	87.53
7	B₂	3376	3225	45.09
8	B₂	980	936	6.16
9	B₂	152	145	1.45

Atom	y (Å)	z (Å)
O1	0.000	0.894
C2	0.634	-0.463
C3	-0.634	-0.463
H4	1.650	-0.796
H5	-1.650	-0.796

	O1	C2	C3	H4	H5
O1		1.4984	1.4984	2.3621	2.3621
C2	1.4984		1.2682	1.0690	2.3081
C3	1.4984	1.2682		2.3081	1.0690
H4	2.3621	1.0690	2.3081		3.2998
H5	2.3621	2.3081	1.0690	3.2998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.964	O1	C2	H4	133.176
O1	C3	C2	64.964	O1	C3	H5	133.176
C2	O1	C3	50.072	C2	C3	H5	161.860
C3	C2	H4	161.860

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)