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	hartrees
Energy at 0K	-417.814268
Energy at 298.15K	-417.818749
HF Energy	-417.388497
Nuclear repulsion energy	65.614613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2472	2362	68.38
2	A₁	1284	1227	173.06
3	A₁	1175	1123	1.61
4	E	2455	2346	97.32
4	E	2455	2346	97.32
5	E	1154	1102	30.28
5	E	1154	1102	30.28
6	E	862	823	28.95
6	E	862	823	28.95

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.382
O2	0.000	0.000	-1.100
H3	0.000	1.256	1.023
H4	-1.087	-0.628	1.023
H5	1.087	-0.628	1.023

	P1	O2	H3	H4	H5
P1		1.4821	1.4098	1.4098	1.4098
O2	1.4821		2.4666	2.4666	2.4666
H3	1.4098	2.4666		2.1750	2.1750
H4	1.4098	2.4666	2.1750		2.1750
H5	1.4098	2.4666	2.1750	2.1750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.038	O2	P1	H4	117.038
O2	P1	H5	117.038	H3	P1	H4	100.955
H3	P1	H5	100.955	H4	P1	H5	100.955

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

using model chemistry: QCISD/cc-pVTZ

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/cc-pVTZ

States and conformations

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