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	hartrees
Energy at 0K	-152.270651
Energy at 298.15K
HF Energy	-151.648095
Nuclear repulsion energy	61.830896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3417	3417	3.46
2	A₁	1826	1826	3.41
3	A₁	1103	1103	14.51
4	A₁	909	909	57.16
5	A₂	656	656	0.00
6	B₁	551	551	79.13
7	B₂	3338	3338	50.42
8	B₂	985	985	6.79
9	B₂	305	305	1.04

Atom	y (Å)	z (Å)
O1	0.000	0.884
C2	0.632	-0.458
C3	-0.632	-0.458
H4	1.643	-0.791
H5	-1.643	-0.791

	O1	C2	C3	H4	H5
O1		1.4830	1.4830	2.3468	2.3468
C2	1.4830		1.2630	1.0652	2.2989
C3	1.4830	1.2630		2.2989	1.0652
H4	2.3468	1.0652	2.2989		3.2861
H5	2.3468	2.2989	1.0652	3.2861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.796	O1	C2	H4	133.467
O1	C3	C2	64.796	O1	C3	H5	133.467
C2	O1	C3	50.407	C2	C3	H5	161.737
C3	C2	H4	161.737

All results from a given calculation for C₂H₂O (Oxirene)

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

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)