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	hartrees
Energy at 0K	-152.079728
Energy at 298.15K
HF Energy	-151.604457
Nuclear repulsion energy	60.362216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3423	3423	2.86	110.34	0.16	0.28
2	A₁	1748	1748	4.99	59.65	0.06	0.11
3	A₁	1056	1056	10.30	5.94	0.39	0.56
4	A₁	858	858	57.25	5.14	0.66	0.79
5	A₂	558	558	0.00	2.36	0.75	0.86
6	B₁	495	495	83.58	0.01	0.75	0.86
7	B₂	3356	3356	53.94	17.63	0.75	0.86
8	B₂	939	939	8.08	1.69	0.75	0.86
9	B₂	57i	57i	0.62	16.94	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.909
C2	0.646	-0.471
C3	-0.646	-0.471
H4	1.672	-0.809
H5	-1.672	-0.809

	O1	C2	C3	H4	H5
O1		1.5242	1.5242	2.3971	2.3971
C2	1.5242		1.2915	1.0800	2.3418
C3	1.5242	1.2915		2.3418	1.0800
H4	2.3971	1.0800	2.3418		3.3433
H5	2.3971	2.3418	1.0800	3.3433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.935	O1	C2	H4	133.268
O1	C3	C2	64.935	O1	C3	H5	133.268
C2	O1	C3	50.130	C2	C3	H5	161.796
C3	C2	H4	161.796

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP2/daug-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: MP2/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)