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	hartrees
Energy at 0K	-152.238488
Energy at 298.15K
HF Energy	-151.648492
Nuclear repulsion energy	61.153310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3406	3406
2	A₁	1757	1757
3	A₁	1070	1070
4	A₁	870	870
5	A₂	571	571
6	B₁	500	500
7	B₂	3338	3338
8	B₂	952	952
9	B₂	117	117

Atom	y (Å)	z (Å)
O1	0.000	0.896
C2	0.638	-0.465
C3	-0.638	-0.465
H4	1.655	-0.796
H5	-1.655	-0.796

	O1	C2	C3	H4	H5
O1		1.5030	1.5030	2.3669	2.3669
C2	1.5030		1.2750	1.0700	2.3163
C3	1.5030	1.2750		2.3163	1.0700
H4	2.3669	1.0700	2.3163		3.3100
H5	2.3669	2.3163	1.0700	3.3100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.903	O1	C2	H4	133.116
O1	C3	C2	64.903	O1	C3	H5	133.116
C2	O1	C3	50.194	C2	C3	H5	161.981
C3	C2	H4	161.981

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: QCISD(T)/Def2TZVPP

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)/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)