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	hartrees
Energy at 0K	-152.062768
Energy at 298.15K
HF Energy	-151.593146
Nuclear repulsion energy	61.139421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3467	3238	2.86
2	A₁	1817	1697	2.77
3	A₁	1096	1024	10.13
4	A₁	896	836	52.61
5	A₂	517	483	0.00
6	B₁	502	468	94.80
7	B₂	3399	3174	44.02
8	B₂	966	902	6.74
9	B₂	262	245	0.89

Atom	y (Å)	z (Å)
O1	0.000	0.896
C2	0.638	-0.465
C3	-0.638	-0.465
H4	1.655	-0.796
H5	-1.655	-0.796

	O1	C2	C3	H4	H5
O1		1.5029	1.5029	2.3672	2.3672
C2	1.5029		1.2764	1.0698	2.3173
C3	1.5029	1.2764		2.3173	1.0698
H4	2.3672	1.0698	2.3173		3.3106
H5	2.3672	2.3173	1.0698	3.3106

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.873	O1	C2	H4	133.184
O1	C3	C2	64.873	O1	C3	H5	133.184
C2	O1	C3	50.255	C2	C3	H5	161.943
C3	C2	H4	161.943

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CCSD/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)