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	hartrees
Energy at 0K	-417.389401
Energy at 298.15K	-417.393788
HF Energy	-417.182385
Nuclear repulsion energy	61.679795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2338	2256	99.45
2	A₁	1220	1178	198.32
3	A₁	999	965	54.41
4	E	2309	2229	127.50
4	E	2309	2229	127.50
5	E	1126	1087	53.47
5	E	1126	1087	53.47
6	E	788	760	13.78
6	E	788	760	13.78

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.422
O2	0.000	0.000	-1.190
H3	0.000	1.275	1.064
H4	-1.105	-0.638	1.064
H5	1.105	-0.638	1.064

	P1	O2	H3	H4	H5
P1		1.6125	1.4279	1.4279	1.4279
O2	1.6125		2.5902	2.5902	2.5902
H3	1.4279	2.5902		2.2091	2.2091
H4	1.4279	2.5902	2.2091		2.2091
H5	1.4279	2.5902	2.2091	2.2091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.717	O2	P1	H4	116.717
O2	P1	H5	116.717	H3	P1	H4	101.351
H3	P1	H5	101.351	H4	P1	H5	101.351

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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