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	hartrees
Energy at 0K	-417.815482
Energy at 298.15K	-417.819980
HF Energy	-417.399124
Nuclear repulsion energy	66.232289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2505	2505	61.02
2	A₁	1327	1327	196.22
3	A₁	1200	1200	6.34
4	E	2489	2489	89.99
4	E	2489	2489	89.99
5	E	1166	1166	31.89
5	E	1166	1166	31.90
6	E	880	880	32.99
6	E	880	880	32.99

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.377
O2	0.000	0.000	-1.088
H3	0.000	1.250	1.015
H4	-1.082	-0.625	1.015
H5	1.082	-0.625	1.015

	P1	O2	H3	H4	H5
P1		1.4653	1.4032	1.4032	1.4032
O2	1.4653		2.4465	2.4465	2.4465
H3	1.4032	2.4465		2.1648	2.1648
H4	1.4032	2.4465	2.1648		2.1648
H5	1.4032	2.4465	2.1648	2.1648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.038	O2	P1	H4	117.038
O2	P1	H5	117.038	H3	P1	H4	100.955
H3	P1	H5	100.955	H4	P1	H5	100.955

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

using model chemistry: MP3/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: MP3/cc-pV(T+d)Z

States and conformations

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