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	hartrees
Energy at 0K	-415.511915
Energy at 298.15K	-415.516428
HF Energy	-415.264398
Nuclear repulsion energy	65.035897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2551	2418	101.91
2	A₁	1372	1300	196.02
3	A₁	1203	1141	0.40
4	E	2513	2382	159.74
4	E	2513	2382	159.74
5	E	1159	1099	61.45
5	E	1159	1099	61.45
6	E	920	872	38.61
6	E	920	872	38.61

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.385
O2	0.000	0.000	-1.116
H3	0.000	1.241	1.052
H4	-1.074	-0.620	1.052
H5	1.074	-0.620	1.052

	P1	O2	H3	H4	H5
P1		1.5011	1.4083	1.4083	1.4083
O2	1.5011		2.4976	2.4976	2.4976
H3	1.4083	2.4976		2.1486	2.1486
H4	1.4083	2.4976	2.1486		2.1486
H5	1.4083	2.4976	2.1486	2.1486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	118.255	O2	P1	H4	118.255
O2	P1	H5	118.255	H3	P1	H4	99.430
H3	P1	H5	99.430	H4	P1	H5	99.430

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

using model chemistry: MP2=FULL/3-21G*

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=FULL/3-21G*

States and conformations

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