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	hartrees
Energy at 0K	-415.496997
Energy at 298.15K	-415.501510
HF Energy	-415.264361
Nuclear repulsion energy	65.020671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2552	2428	102.24
2	A₁	1371	1304	196.29
3	A₁	1202	1144	0.48
4	E	2513	2391	160.11
4	E	2513	2391	160.11
5	E	1159	1102	61.56
5	E	1159	1102	61.56
6	E	920	875	38.50
6	E	920	875	38.50

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.385
O2	0.000	0.000	-1.116
H3	0.000	1.241	1.052
H4	-1.075	-0.620	1.052
H5	1.075	-0.620	1.052

	P1	O2	H3	H4	H5
P1		1.5015	1.4085	1.4085	1.4085
O2	1.5015		2.4981	2.4981	2.4981
H3	1.4085	2.4981		2.1490	2.1490
H4	1.4085	2.4981	2.1490		2.1490
H5	1.4085	2.4981	2.1490	2.1490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	118.249	O2	P1	H4	118.249
O2	P1	H5	118.249	H3	P1	H4	99.437
H3	P1	H5	99.437	H4	P1	H5	99.437

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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