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	hartrees
Energy at 0K	-152.092665
Energy at 298.15K
HF Energy	-151.606164
Nuclear repulsion energy	60.923544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3445	3445	3.20
2	A₁	1811	1811	4.04
3	A₁	1091	1091	15.54
4	A₁	892	892	53.64
5	A₂	552	552	0.00
6	B₁	504	504	84.87
7	B₂	3375	3375	46.89
8	B₂	962	962	7.69
9	B₂	358	358	0.13

Atom	y (Å)	z (Å)
O1	0.000	0.897
C2	0.642	-0.464
C3	-0.642	-0.464
H4	1.667	-0.802
H5	-1.667	-0.802

	O1	C2	C3	H4	H5
O1		1.5048	1.5048	2.3798	2.3798
C2	1.5048		1.2837	1.0791	2.3332
C3	1.5048	1.2837		2.3332	1.0791
H4	2.3798	1.0791	2.3332		3.3335
H5	2.3798	2.3332	1.0791	3.3335

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.753	O1	C2	H4	133.479
O1	C3	C2	64.753	O1	C3	H5	133.479
C2	O1	C3	50.495	C2	C3	H5	161.768
C3	C2	H4	161.768

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP3=FULL/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: MP3=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)