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	hartrees
Energy at 0K	-417.617408
Energy at 298.15K	-417.621900
HF Energy	-417.305572
Nuclear repulsion energy	65.421963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2533	2377	94.27
2	A₁	1328	1246	250.58
3	A₁	1211	1137	0.68
4	E	2517	2361	148.06
4	E	2517	2361	148.06
5	E	1149	1078	55.48
5	E	1149	1078	55.48
6	E	894	839	38.25
6	E	894	839	38.25

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.383
O2	0.000	0.000	-1.104
H3	0.000	1.255	1.031
H4	-1.087	-0.627	1.031
H5	1.087	-0.627	1.031

	P1	O2	H3	H4	H5
P1		1.4870	1.4125	1.4125	1.4125
O2	1.4870		2.4769	2.4769	2.4769
H3	1.4125	2.4769		2.1735	2.1735
H4	1.4125	2.4769	2.1735		2.1735
H5	1.4125	2.4769	2.1735	2.1735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.329	O2	P1	H4	117.329
O2	P1	H5	117.329	H3	P1	H4	100.594
H3	P1	H5	100.594	H4	P1	H5	100.594

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

using model chemistry: MP3=FULL/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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All results from a given calculation for H3PO (Phosphine oxide)

using model chemistry: MP3=FULL/6-31G*

States and conformations

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