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	hartrees
Energy at 0K	-417.792598
Energy at 298.15K	-417.797180
HF Energy	-417.402552
Nuclear repulsion energy	66.292128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2543	2543	65.29
2	A₁	1319	1319	212.19
3	A₁	1210	1210	2.84
4	E	2528	2528	74.56
4	E	2528	2528	74.56
5	E	1186	1186	27.33
5	E	1186	1186	27.33
6	E	891	891	31.17
6	E	891	891	31.17

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.379
O2	0.000	0.000	-1.087
H3	0.000	1.250	1.006
H4	-1.083	-0.625	1.006
H5	1.083	-0.625	1.006

	P1	O2	H3	H4	H5
P1		1.4656	1.3989	1.3989	1.3989
O2	1.4656		2.4378	2.4378	2.4378
H3	1.3989	2.4378		2.1659	2.1659
H4	1.3989	2.4378	2.1659		2.1659
H5	1.3989	2.4378	2.1659	2.1659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.629	O2	P1	H4	116.628
O2	P1	H5	116.628	H3	P1	H4	101.459
H3	P1	H5	101.459	H4	P1	H5	101.459

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

using model chemistry: CID/aug-cc-pV(T+d)Z

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: CID/aug-cc-pV(T+d)Z

States and conformations

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