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	hartrees
Energy at 0K	-152.038284
Energy at 298.15K
HF Energy	-151.616516
Nuclear repulsion energy	61.919343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3493	3246	1.55
2	A₁	1881	1747	1.01
3	A₁	1142	1061	11.50
4	A₁	936	870	57.14
5	A₂	611	568	0.00
6	B₁	562	523	98.40
7	B₂	3416	3174	41.98
8	B₂	979	910	4.86
9	B₂	355	330	2.63

Atom	y (Å)	z (Å)
O1	0.000	0.882
C2	0.630	-0.458
C3	-0.630	-0.458
H4	1.648	-0.781
H5	-1.648	-0.781

	O1	C2	C3	H4	H5
O1		1.4801	1.4801	2.3408	2.3408
C2	1.4801		1.2606	1.0678	2.3012
C3	1.4801	1.2606		2.3012	1.0678
H4	2.3408	1.0678	2.3012		3.2961
H5	2.3408	2.3012	1.0678	3.2961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.795	O1	C2	H4	132.819
O1	C3	C2	64.795	O1	C3	H5	132.819
C2	O1	C3	50.410	C2	C3	H5	162.386
C3	C2	H4	162.386

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)