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	hartrees
Energy at 0K	-417.857577
Energy at 298.15K	-417.862061
HF Energy	-417.405828
Nuclear repulsion energy	65.957221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2482	2359	63.79
2	A₁	1291	1227	182.21
3	A₁	1178	1120	2.96
4	E	2467	2345	78.08
4	E	2467	2345	78.09
5	E	1154	1097	27.21
5	E	1154	1097	27.21
6	E	869	826	28.30
6	E	869	826	28.30

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.380
O2	0.000	0.000	-1.093
H3	0.000	1.256	1.013
H4	-1.087	-0.628	1.013
H5	1.087	-0.628	1.013

	P1	O2	H3	H4	H5
P1		1.4729	1.4062	1.4062	1.4062
O2	1.4729		2.4518	2.4518	2.4518
H3	1.4062	2.4518		2.1749	2.1749
H4	1.4062	2.4518	2.1749		2.1749
H5	1.4062	2.4518	2.1749	2.1749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.752	O2	P1	H4	116.752
O2	P1	H5	116.752	H3	P1	H4	101.308
H3	P1	H5	101.308	H4	P1	H5	101.308

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

using model chemistry: CCSD/cc-pVQZ

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: CCSD/cc-pVQZ

States and conformations

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