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	hartrees
Energy at 0K	-152.200316
Energy at 298.15K
HF Energy	-151.643666
Nuclear repulsion energy	61.735427

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3458	3267	3.10
2	A₁	1833	1732	2.13
3	A₁	1126	1064	10.58
4	A₁	920	869	50.52
5	A₂	652	616	0.00
6	B₁	543	513	83.80
7	B₂	3384	3196	48.31
8	B₂	999	944	6.63
9	B₂	389	367	1.15

Atom	y (Å)	z (Å)
O1	0.000	0.886
C2	0.632	-0.459
C3	-0.632	-0.459
H4	1.645	-0.791
H5	-1.645	-0.791

	O1	C2	C3	H4	H5
O1		1.4856	1.4856	2.3492	2.3492
C2	1.4856		1.2648	1.0662	2.3020
C3	1.4856	1.2648		2.3020	1.0662
H4	2.3492	1.0662	2.3020		3.2909
H5	2.3492	2.3020	1.0662	3.2909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.806	O1	C2	H4	133.358
O1	C3	C2	64.806	O1	C3	H5	133.358
C2	O1	C3	50.388	C2	C3	H5	161.835
C3	C2	H4	161.835

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP3/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)