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	hartrees
Energy at 0K	-417.653739
Energy at 298.15K	-417.658219
HF Energy	-417.317258
Nuclear repulsion energy	65.170906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2524	2386	100.13
2	A₁	1283	1213	262.57
3	A₁	1167	1104	10.73
4	E	2508	2371	123.89
4	E	2508	2371	123.89
5	E	1170	1106	46.91
5	E	1170	1106	46.91
6	E	866	819	30.30
6	E	866	819	30.30

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.388
O2	0.000	0.000	-1.112
H3	0.000	1.251	1.023
H4	-1.084	-0.626	1.023
H5	1.084	-0.626	1.023

	P1	O2	H3	H4	H5
P1		1.4999	1.4033	1.4033	1.4033
O2	1.4999		2.4747	2.4747	2.4747
H3	1.4033	2.4747		2.1673	2.1673
H4	1.4033	2.4747	2.1673		2.1673
H5	1.4033	2.4747	2.1673	2.1673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.910	O2	P1	H4	116.910
O2	P1	H5	116.910	H3	P1	H4	101.112
H3	P1	H5	101.112	H4	P1	H5	101.112

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

using model chemistry: QCISD/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: QCISD/6-31+G**

States and conformations

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