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	hartrees
Energy at 0K	-152.077394
Energy at 298.15K
HF Energy	-151.603779
Nuclear repulsion energy	60.350490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3425	3284	2.94	109.69	0.16	0.28
2	A₁	1750	1678	5.03	57.05	0.07	0.14
3	A₁	1057	1013	9.69	6.93	0.36	0.53
4	A₁	858	823	57.67	6.09	0.61	0.76
5	A₂	524	503	0.00	2.64	0.75	0.86
6	B₁	476	457	85.28	0.05	0.75	0.86
7	B₂	3358	3220	53.38	17.49	0.75	0.86
8	B₂	934	896	8.69	1.64	0.75	0.86
9	B₂	68i	65i	0.65	17.01	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.910
C2	0.646	-0.471
C3	-0.646	-0.471
H4	1.672	-0.811
H5	-1.672	-0.811

	O1	C2	C3	H4	H5
O1		1.5244	1.5244	2.3992	2.3992
C2	1.5244		1.2913	1.0811	2.3424
C3	1.5244	1.2913		2.3424	1.0811
H4	2.3992	1.0811	2.3424		3.3439
H5	2.3992	2.3424	1.0811	3.3439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.942	O1	C2	H4	133.374
O1	C3	C2	64.942	O1	C3	H5	133.374
C2	O1	C3	50.117	C2	C3	H5	161.685
C3	C2	H4	161.685

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP2/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: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)