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	hartrees
Energy at 0K	-418.158407
Energy at 298.15K
HF Energy	-418.158407
Nuclear repulsion energy	65.130918

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.385
O2	0.000	0.000	-1.109
H3	0.000	1.263	1.031
H4	-1.094	-0.631	1.031
H5	1.094	-0.631	1.031

	P1	O2	H3	H4	H5
P1		1.4940	1.4184	1.4184	1.4184
O2	1.4940		2.4849	2.4849	2.4849
H3	1.4184	2.4849		2.1870	2.1870
H4	1.4184	2.4849	2.1870		2.1870
H5	1.4184	2.4849	2.1870	2.1870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.102	O2	P1	H4	117.102
O2	P1	H5	117.102	H3	P1	H4	100.875
H3	P1	H5	100.875	H4	P1	H5	100.875

Number	Element	Mulliken
1	P	0.738
2	O	-0.673
3	H	-0.022
4	H	-0.022
5	H	-0.022

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

using model chemistry: HSEh1PBE/6-31+G**

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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<r²>	32.784
(<r²>)^1/2	5.726

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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