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	hartrees
Energy at 0K	-417.755322
Energy at 298.15K	-417.759805
HF Energy	-417.360575
Nuclear repulsion energy	65.417668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2511	2345	76.76
2	A₁	1284	1199	264.66
3	A₁	1194	1115	0.02
4	E	2493	2328	114.48
4	E	2493	2328	114.48
5	E	1182	1104	41.05
5	E	1182	1104	41.05
6	E	854	797	38.79
6	E	854	797	38.79

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.384
O2	0.000	0.000	-1.105
H3	0.000	1.253	1.026
H4	-1.085	-0.627	1.026
H5	1.085	-0.627	1.026

	P1	O2	H3	H4	H5
P1		1.4893	1.4081	1.4081	1.4081
O2	1.4893		2.4725	2.4725	2.4725
H3	1.4081	2.4725		2.1707	2.1707
H4	1.4081	2.4725	2.1707		2.1707
H5	1.4081	2.4725	2.1707	2.1707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.126	O2	P1	H4	117.126
O2	P1	H5	117.126	H3	P1	H4	100.846
H3	P1	H5	100.846	H4	P1	H5	100.846

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

using model chemistry: MP3=FULL/TZVP

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/TZVP

States and conformations

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