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	hartrees
Energy at 0K	-152.039640
Energy at 298.15K
HF Energy	-151.590608
Nuclear repulsion energy	60.605613

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	3435	3272	2.44	107.83	0.20	0.33
2	A₁	1765	1681	1.81	28.88	0.19	0.32
3	A₁	1084	1032	3.15	5.26	0.33	0.50
4	A₁	867	826	41.36	7.08	0.50	0.67
5	A₂	574	547	0.00	0.73	0.75	0.86
6	B₁	489	465	74.65	0.77	0.75	0.86
7	B₂	3368	3208	48.37	17.65	0.75	0.86
8	B₂	936	892	6.17	2.64	0.75	0.86
9	B₂	189i	180i	3.28	15.08	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.902
C2	0.645	-0.467
C3	-0.645	-0.467
H4	1.672	-0.807
H5	-1.672	-0.807

	O1	C2	C3	H4	H5
O1		1.5138	1.5138	2.3917	2.3917
C2	1.5138		1.2899	1.0823	2.3421
C3	1.5138	1.2899		2.3421	1.0823
H4	2.3917	1.0823	2.3421		3.3446
H5	2.3917	2.3421	1.0823	3.3446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.783	O1	C2	H4	133.546
O1	C3	C2	64.783	O1	C3	H5	133.546
C2	O1	C3	50.434	C2	C3	H5	161.671
C3	C2	H4	161.671

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP2/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/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)