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	hartrees
Energy at 0K	-417.685385
Energy at 298.15K	-417.689841
HF Energy	-417.320152
Nuclear repulsion energy	64.326486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2459	2373
2	A₁	1262	1218
3	A₁	1126	1087
4	E	2440	2355
4	E	2440	2355
5	E	1142	1102
5	E	1142	1102
6	E	838	809
6	E	838	809

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.390
O2	0.000	0.000	-1.128
H3	0.000	1.258	1.059
H4	-1.089	-0.629	1.059
H5	1.089	-0.629	1.059

	P1	O2	H3	H4	H5
P1		1.5173	1.4250	1.4250	1.4250
O2	1.5173		2.5229	2.5229	2.5229
H3	1.4250	2.5229		2.1785	2.1785
H4	1.4250	2.5229	2.1785		2.1785
H5	1.4250	2.5229	2.1785	2.1785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	118.036	O2	P1	H4	118.036
O2	P1	H5	118.036	H3	P1	H4	99.707
H3	P1	H5	99.707	H4	P1	H5	99.707

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

using model chemistry: MP4=FULL/cc-pVDZ

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: MP4=FULL/cc-pVDZ

States and conformations

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