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	hartrees
Energy at 0K	-417.941489
Energy at 298.15K	-417.946046
HF Energy	-417.401601
Nuclear repulsion energy	65.831662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2511	2511	73.75
2	A₁	1267	1267	178.01
3	A₁	1166	1166	0.66
4	E	2498	2498	72.78
4	E	2498	2498	72.78
5	E	1170	1170	24.34
5	E	1170	1170	24.34
6	E	854	854	22.88
6	E	854	854	22.88

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.382
O2	0.000	0.000	-1.098
H3	0.000	1.246	1.017
H4	-1.079	-0.623	1.017
H5	1.079	-0.623	1.017

	P1	O2	H3	H4	H5
P1		1.4806	1.3980	1.3980	1.3980
O2	1.4806		2.4545	2.4545	2.4545
H3	1.3980	2.4545		2.1580	2.1580
H4	1.3980	2.4545	2.1580		2.1580
H5	1.3980	2.4545	2.1580	2.1580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.975	O2	P1	H4	116.975
O2	P1	H5	116.975	H3	P1	H4	101.033
H3	P1	H5	101.033	H4	P1	H5	101.033

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

using model chemistry: MP2=FULL/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: MP2=FULL/aug-cc-pV(T+d)Z

States and conformations

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