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	hartrees
Energy at 0K	-417.852780
Energy at 298.15K	-417.857263
HF Energy	-417.388405
Nuclear repulsion energy	65.631241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2505	2378	72.54
2	A₁	1289	1224	171.31
3	A₁	1177	1117	1.45
4	E	2492	2366	98.94
4	E	2492	2366	98.94
5	E	1154	1096	30.43
5	E	1154	1096	30.43
6	E	863	819	28.35
6	E	863	819	28.35

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.383
O2	0.000	0.000	-1.102
H3	0.000	1.248	1.025
H4	-1.081	-0.624	1.025
H5	1.081	-0.624	1.025

	P1	O2	H3	H4	H5
P1		1.4845	1.4033	1.4033	1.4033
O2	1.4845		2.4656	2.4656	2.4656
H3	1.4033	2.4656		2.1612	2.1612
H4	1.4033	2.4656	2.1612		2.1612
H5	1.4033	2.4656	2.1612	2.1612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.231	O2	P1	H4	117.231
O2	P1	H5	117.231	H3	P1	H4	100.716
H3	P1	H5	100.716	H4	P1	H5	100.716

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVTZ

States and conformations

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