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	hartrees
Energy at 0K	-417.841957
Energy at 298.15K	-417.846416
HF Energy	-417.391267
Nuclear repulsion energy	65.288677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2447	2373
2	A₁	1244	1207
3	A₁	1148	1113
4	E	2436	2363
4	E	2436	2363
5	E	1136	1102
5	E	1136	1102
6	E	840	815
6	E	840	814

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.386
O2	0.000	0.000	-1.106
H3	0.000	1.260	1.023
H4	-1.091	-0.630	1.023
H5	1.091	-0.630	1.023

	P1	O2	H3	H4	H5
P1		1.4919	1.4120	1.4120	1.4120
O2	1.4919		2.4741	2.4741	2.4741
H3	1.4120	2.4741		2.1823	2.1823
H4	1.4120	2.4741	2.1823		2.1823
H5	1.4120	2.4741	2.1823	2.1823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.831	O2	P1	H4	116.831
O2	P1	H5	116.831	H3	P1	H4	101.210
H3	P1	H5	101.210	H4	P1	H5	101.210

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

using model chemistry: CCSD(T)/aug-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: CCSD(T)/aug-cc-pVTZ

States and conformations

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