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	hartrees
Energy at 0K	-417.875810
Energy at 298.15K	-417.880279
HF Energy	-417.405283
Nuclear repulsion energy	65.708396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2457	2383
2	A₁	1270	1232
3	A₁	1160	1125
4	E	2443	2369
4	E	2443	2369
5	E	1140	1106
5	E	1140	1105
6	E	854	828
6	E	853	827

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.382
O2	0.000	0.000	-1.098
H3	0.000	1.257	1.019
H4	-1.088	-0.628	1.019
H5	1.088	-0.628	1.019

	P1	O2	H3	H4	H5
P1		1.4796	1.4089	1.4089	1.4089
O2	1.4796		2.4615	2.4615	2.4615
H3	1.4089	2.4615		2.1768	2.1768
H4	1.4089	2.4615	2.1768		2.1768
H5	1.4089	2.4615	2.1768	2.1768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.876	O2	P1	H4	116.876
O2	P1	H5	116.876	H3	P1	H4	101.154
H3	P1	H5	101.154	H4	P1	H5	101.154

All results from a given calculation for H₃PO (Phosphine oxide)

using model chemistry: CCSD(T)/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 H3PO (Phosphine oxide)

using model chemistry: CCSD(T)/cc-pVQZ

States and conformations

All results from a given calculation for H₃PO (Phosphine oxide)