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	hartrees
Energy at 0K	-417.642003
Energy at 298.15K	-417.646475
HF Energy	-417.320695
Nuclear repulsion energy	64.534773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2490	2372	88.17
2	A₁	1280	1219	195.75
3	A₁	1158	1103	0.36
4	E	2471	2353	141.30
4	E	2471	2353	141.30
5	E	1158	1103	42.24
5	E	1158	1103	42.24
6	E	852	812	32.31
6	E	852	812	32.31

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.388
O2	0.000	0.000	-1.123
H3	0.000	1.256	1.055
H4	-1.088	-0.628	1.055
H5	1.088	-0.628	1.055

	P1	O2	H3	H4	H5
P1		1.5116	1.4221	1.4221	1.4221
O2	1.5116		2.5144	2.5144	2.5144
H3	1.4221	2.5144		2.1760	2.1760
H4	1.4221	2.5144	2.1760		2.1760
H5	1.4221	2.5144	2.1760	2.1760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.942	O2	P1	H4	117.942
O2	P1	H5	117.942	H3	P1	H4	99.825
H3	P1	H5	99.825	H4	P1	H5	99.825

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

using model chemistry: MP2/cc-pVDZ

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: MP2/cc-pVDZ

States and conformations

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