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	hartrees
Energy at 0K	-151.423489
Energy at 298.15K
HF Energy	-151.314076
Nuclear repulsion energy	59.050936

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	3437	3437	4.19	83.92	0.18	0.30
2	A₁	1765	1765	1.41	34.39	0.24	0.39
3	A₁	1012	1012	4.23	2.39	0.44	0.61
4	A₁	828	828	14.52	9.22	0.48	0.64
5	A₂	637	637	0.00	2.34	0.75	0.86
6	B₁	582	582	111.33	0.96	0.75	0.86
7	B₂	3365	3365	35.87	20.08	0.75	0.86
8	B₂	935	935	10.94	2.94	0.75	0.86
9	B₂	114i	114i	3.62	12.78	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.965
C2	0.638	-0.499
C3	-0.638	-0.499
H4	1.639	-0.868
H5	-1.639	-0.868

	O1	C2	C3	H4	H5
O1		1.5969	1.5969	2.4591	2.4591
C2	1.5969		1.2760	1.0671	2.3069
C3	1.5969	1.2760		2.3069	1.0671
H4	2.4591	1.0671	2.3069		3.2784
H5	2.4591	2.3069	1.0671	3.2784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	66.450	O1	C2	H4	133.791
O1	C3	C2	66.450	O1	C3	H5	133.791
C2	O1	C3	47.099	C2	C3	H5	159.758
C3	C2	H4	159.758

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: B2PLYP=FULLultrafine/3-21G

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: B2PLYP=FULLultrafine/3-21G

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)