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	hartrees
Energy at 0K	-152.247574
Energy at 298.15K
HF Energy	-151.643882
Nuclear repulsion energy	61.790333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3453	3274	2.81
2	A₁	1827	1732	1.95
3	A₁	1112	1054	7.84
4	A₁	914	867	52.17
5	A₂	626	593	0.00
6	B₁	543	514	80.65
7	B₂	3364	3190	47.08
8	B₂	993	942	6.23
9	B₂	285	270	2.21

Atom	y (Å)	z (Å)
O1	0.000	0.886
C2	0.631	-0.459
C3	-0.631	-0.459
H4	1.642	-0.789
H5	-1.642	-0.789

	O1	C2	C3	H4	H5
O1		1.4857	1.4857	2.3453	2.3453
C2	1.4857		1.2626	1.0630	2.2969
C3	1.4857	1.2626		2.2969	1.0630
H4	2.3453	1.0630	2.2969		3.2836
H5	2.3453	2.2969	1.0630	3.2836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.854	O1	C2	H4	133.226
O1	C3	C2	64.854	O1	C3	H5	133.226
C2	O1	C3	50.291	C2	C3	H5	161.920
C3	C2	H4	161.920

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)