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	hartrees
Energy at 0K	-416.919167
Energy at 298.15K	-416.923460
HF Energy	-416.919167
Nuclear repulsion energy	61.189448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2177	2133	142.19
2	A₁	1120	1097	93.62
3	A₁	965	945	15.53
4	E	2146	2102	194.12
4	E	2146	2102	194.11
5	E	1000	980	30.04
5	E	1000	980	30.03
6	E	733	718	6.32
6	E	733	718	6.32

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.419
O2	0.000	0.000	-1.194
H3	0.000	1.299	1.089
H4	-1.125	-0.649	1.089
H5	1.125	-0.649	1.089

	P1	O2	H3	H4	H5
P1		1.6135	1.4615	1.4615	1.4615
O2	1.6135		2.6271	2.6271	2.6271
H3	1.4615	2.6271		2.2496	2.2496
H4	1.4615	2.6271	2.2496		2.2497
H5	1.4615	2.6271	2.2496	2.2497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.289	O2	P1	H4	117.289
O2	P1	H5	117.289	H3	P1	H4	100.644
H3	P1	H5	100.644	H4	P1	H5	100.644

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

using model chemistry: LSDA/6-31G

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	0.557
2	O	-0.575
3	H	0.006
4	H	0.006
5	H	0.006

	x	y	z	Total
	0.000	0.000	4.301	4.301
CHELPG
AIM
ESP

<r²>	35.758
(<r²>)^1/2	5.980

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

using model chemistry: LSDA/6-31G

States and conformations

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