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	hartrees
Energy at 0K	-418.197655
Energy at 298.15K	-418.202124
HF Energy	-418.197655
Nuclear repulsion energy	65.359810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2420	2324	89.49
2	A₁	1278	1227	209.24
3	A₁	1169	1123	0.00
4	E	2397	2302	131.64
4	E	2397	2302	131.65
5	E	1118	1074	37.09
5	E	1118	1074	37.09
6	E	860	826	36.19
6	E	860	826	36.19

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.381
O2	0.000	0.000	-1.104
H3	0.000	1.259	1.040
H4	-1.091	-0.630	1.040
H5	1.091	-0.630	1.040

	P1	O2	H3	H4	H5
P1		1.4847	1.4213	1.4214	1.4214
O2	1.4847		2.4863	2.4863	2.4863
H3	1.4213	2.4863		2.1811	2.1811
H4	1.4214	2.4863	2.1811		2.1811
H5	1.4214	2.4863	2.1811	2.1811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.628	O2	P1	H4	117.628
O2	P1	H5	117.628	H3	P1	H4	100.220
H3	P1	H5	100.220	H4	P1	H5	100.220

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

using model chemistry: HSEh1PBE/6-311G**

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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Number	Element	Mulliken
1	P	0.710
2	O	-0.577
3	H	-0.044
4	H	-0.044
5	H	-0.044

	x	y	z	Total
	0.000	0.000	3.828	3.828
CHELPG
AIM
ESP

<r²>	32.568
(<r²>)^1/2	5.707

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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