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	hartrees
Energy at 0K	-417.649939
Energy at 298.15K	-417.654425
HF Energy	-417.317076
Nuclear repulsion energy	65.122030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2562	2406	105.21
2	A₁	1298	1219	276.77
3	A₁	1177	1105	8.71
4	E	2550	2395	126.85
4	E	2550	2395	126.85
5	E	1180	1109	48.54
5	E	1180	1109	48.54
6	E	870	817	28.70
6	E	870	817	28.70

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.389
O2	0.000	0.000	-1.114
H3	0.000	1.248	1.025
H4	-1.081	-0.624	1.025
H5	1.081	-0.624	1.025

	P1	O2	H3	H4	H5
P1		1.5028	1.4006	1.4006	1.4006
O2	1.5028		2.4761	2.4761	2.4761
H3	1.4006	2.4761		2.1615	2.1615
H4	1.4006	2.4761	2.1615		2.1615
H5	1.4006	2.4761	2.1615	2.1615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.999	O2	P1	H4	116.999
O2	P1	H5	116.999	H3	P1	H4	101.003
H3	P1	H5	101.003	H4	P1	H5	101.003

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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