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	hartrees
Energy at 0K	-152.234344
Energy at 298.15K
HF Energy	-151.641703
Nuclear repulsion energy	61.278690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3396	3238
2	A₁	1759	1677
3	A₁	1071	1022
4	A₁	877	836
5	A₂	588	561
6	B₁	500	476
7	B₂	3328	3174
8	B₂	960	916
9	B₂	162	155

Atom	y (Å)	z (Å)
O1	0.000	0.892
C2	0.637	-0.463
C3	-0.637	-0.463
H4	1.657	-0.791
H5	-1.657	-0.791

	O1	C2	C3	H4	H5
O1		1.4978	1.4978	2.3620	2.3620
C2	1.4978		1.2742	1.0713	2.3175
C3	1.4978	1.2742		2.3175	1.0713
H4	2.3620	1.0713	2.3175		3.3143
H5	2.3620	2.3175	1.0713	3.3143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.827	O1	C2	H4	132.974
O1	C3	C2	64.827	O1	C3	H5	132.974
C2	O1	C3	50.345	C2	C3	H5	162.198
C3	C2	H4	162.198

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: QCISD(T)/6-311+G(3df,2p)

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)/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)