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	hartrees
Energy at 0K	-417.890520
Energy at 298.15K	-417.894985
HF Energy	-417.387962
Nuclear repulsion energy	65.428153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2457	2366
2	A₁	1266	1219
3	A₁	1152	1109
4	E	2444	2353
4	E	2444	2353
5	E	1135	1093
5	E	1135	1093
6	E	848	816
6	E	847	816

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.384
O2	0.000	0.000	-1.105
H3	0.000	1.251	1.030
H4	-1.083	-0.626	1.030
H5	1.083	-0.626	1.030

	P1	O2	H3	H4	H5
P1		1.4888	1.4081	1.4081	1.4081
O2	1.4888		2.4747	2.4747	2.4747
H3	1.4081	2.4747		2.1668	2.1668
H4	1.4081	2.4747	2.1668		2.1668
H5	1.4081	2.4747	2.1668	2.1668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.324	O2	P1	H4	117.324
O2	P1	H5	117.324	H3	P1	H4	100.599
H3	P1	H5	100.599	H4	P1	H5	100.599

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

using model chemistry: MP4=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: MP4=FULL/cc-pVTZ

States and conformations

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