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	hartrees
Energy at 0K	-417.842771
Energy at 298.15K	-417.847229
HF Energy	-417.391180
Nuclear repulsion energy	65.255505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2445	2364
2	A₁	1241	1199
3	A₁	1145	1107
4	E	2435	2354
4	E	2435	2354
5	E	1135	1098
5	E	1135	1097
6	E	839	811
6	E	838	810

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.386
O2	0.000	0.000	-1.107
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		1.4929	1.4122	1.4122	1.4122
O2	1.4929		2.4751	2.4751	2.4751
H3	1.4122	2.4751		2.1826	2.1826
H4	1.4122	2.4751	2.1826		2.1826
H5	1.4122	2.4751	2.1826	2.1826

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: QCISD(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: QCISD(T)/aug-cc-pVTZ

States and conformations

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