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	hartrees
Energy at 0K	-417.802116
Energy at 298.15K	-417.806599
HF Energy	-417.396539
Nuclear repulsion energy	65.732871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2511	2389	70.49
2	A₁	1288	1225	182.14
3	A₁	1179	1122	0.65
4	E	2496	2375	91.51
4	E	2496	2375	91.51
5	E	1166	1109	29.98
5	E	1166	1109	29.98
6	E	865	823	27.72
6	E	865	823	27.72

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.381
O2	0.000	0.000	-1.097
H3	0.000	1.251	1.019
H4	-1.083	-0.625	1.019
H5	1.083	-0.625	1.019

	P1	O2	H3	H4	H5
P1		1.4776	1.4039	1.4039	1.4039
O2	1.4776		2.4573	2.4573	2.4573
H3	1.4039	2.4573		2.1665	2.1665
H4	1.4039	2.4573	2.1665		2.1665
H5	1.4039	2.4573	2.1665	2.1665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.008	O2	P1	H4	117.008
O2	P1	H5	117.008	H3	P1	H4	100.992
H3	P1	H5	100.992	H4	P1	H5	100.992

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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