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	hartrees
Energy at 0K	-417.673380
Energy at 298.15K	-417.677836
HF Energy	-417.320441
Nuclear repulsion energy	64.433138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2443	2391
2	A₁	1258	1231
3	A₁	1136	1112
4	E	2422	2370
4	E	2421	2370
5	E	1141	1116
5	E	1140	1116
6	E	838	820
6	E	838	820

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.388
O2	0.000	0.000	-1.124
H3	0.000	1.261	1.056
H4	-1.092	-0.631	1.056
H5	1.092	-0.631	1.056

	P1	O2	H3	H4	H5
P1		1.5128	1.4268	1.4268	1.4268
O2	1.5128		2.5188	2.5188	2.5188
H3	1.4268	2.5188		2.1842	2.1842
H4	1.4268	2.5188	2.1842		2.1842
H5	1.4268	2.5188	2.1842	2.1842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.895	O2	P1	H4	117.895
O2	P1	H5	117.895	H3	P1	H4	99.885
H3	P1	H5	99.885	H4	P1	H5	99.885

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

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

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

States and conformations

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