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	hartrees
Energy at 0K	-152.116422
Energy at 298.15K
HF Energy	-151.602341
Nuclear repulsion energy	60.077426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3414	3335
2	A₁	1770	1730
3	A₁	1079	1054
4	A₁	866	846
5	A₂	392	383
6	B₁	453	442
7	B₂	3347	3269
8	B₂	927	906
9	B₂	240i	234i

Atom	y (Å)	z (Å)
O1	0.000	0.915
C2	0.648	-0.475
C3	-0.648	-0.475
H4	1.677	-0.813
H5	-1.677	-0.813

	O1	C2	C3	H4	H5
O1		1.5331	1.5331	2.4085	2.4085
C2	1.5331		1.2952	1.0841	2.3496
C3	1.5331	1.2952		2.3496	1.0841
H4	2.4085	1.0841	2.3496		3.3548
H5	2.4085	2.3496	1.0841	3.3548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	65.013	O1	C2	H4	133.198
O1	C3	C2	65.013	O1	C3	H5	133.198
C2	O1	C3	49.975	C2	C3	H5	161.790
C3	C2	H4	161.790

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP4/aug-cc-pVDZ

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: MP4/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)