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	hartrees
Energy at 0K	-413.160746
Energy at 298.15K	-413.164954
HF Energy	-413.160746
Nuclear repulsion energy	62.551469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2613	2308	116.73
2	A₁	1342	1185	137.70
3	A₁	1011	893	6.51
4	E	2557	2258	127.93
4	E	2557	2258	127.92
5	E	1245	1100	33.25
5	E	1245	1100	33.25
6	E	672	594	16.96
6	E	672	594	16.96

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.404
O2	0.000	0.000	-1.173
H3	0.000	1.245	1.109
H4	-1.078	-0.623	1.109
H5	1.078	-0.623	1.109

	P1	O2	H3	H4	H5
P1		1.5761	1.4312	1.4312	1.4312
O2	1.5761		2.5994	2.5994	2.5994
H3	1.4312	2.5994		2.1566	2.1566
H4	1.4312	2.5994	2.1566		2.1566
H5	1.4312	2.5994	2.1566	2.1566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	119.545	O2	P1	H4	119.545
O2	P1	H5	119.545	H3	P1	H4	97.774
H3	P1	H5	97.774	H4	P1	H5	97.774

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

using model chemistry: HSEh1PBE/STO-3G

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	0.643
2	O	-0.426
3	H	-0.072
4	H	-0.072
5	H	-0.072

	x	y	z	Total
	0.000	0.000	2.746	2.746
CHELPG
AIM
ESP

<r²>	33.273
(<r²>)^1/2	5.768

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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