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	hartrees
Energy at 0K	-152.339154
Energy at 298.15K
HF Energy	-151.656135
Nuclear repulsion energy	61.530114

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	3453	3303	3.14	100.81	0.16	0.27
2	A₁	1790	1712	4.46	58.90	0.07	0.12
3	A₁	1089	1041	10.55	6.00	0.38	0.55
4	A₁	892	853	60.17	4.84	0.67	0.80
5	A₂	674	645	0.00	2.63	0.75	0.86
6	B₁	543	519	80.67	0.03	0.75	0.86
7	B₂	3385	3238	58.75	15.35	0.75	0.86
8	B₂	979	936	7.28	1.62	0.75	0.86
9	B₂	183	175	1.14	16.14	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.891
C2	0.633	-0.462
C3	-0.633	-0.462
H4	1.646	-0.791
H5	-1.646	-0.791

	O1	C2	C3	H4	H5
O1		1.4938	1.4938	2.3535	2.3535
C2	1.4938		1.2661	1.0654	2.3031
C3	1.4938	1.2661		2.3031	1.0654
H4	2.3535	1.0654	2.3031		3.2930
H5	2.3535	2.3031	1.0654	3.2930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.925	O1	C2	H4	133.042
O1	C3	C2	64.925	O1	C3	H5	133.042
C2	O1	C3	50.150	C2	C3	H5	162.033
C3	C2	H4	162.033

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP2=FULL/aug-cc-pVQZ

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=FULL/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)