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	hartrees
Energy at 0K	-417.977604
Energy at 298.15K	-417.982155
HF Energy	-417.401706
Nuclear repulsion energy	65.833350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2462	2462
2	A₁	1262	1262
3	A₁	1156	1156
4	E	2447	2447
4	E	2447	2447
5	E	1152	1152
5	E	1152	1152
6	E	847	847
6	E	847	847

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.381
O2	0.000	0.000	-1.097
H3	0.000	1.250	1.018
H4	-1.083	-0.625	1.018
H5	1.083	-0.625	1.018

	P1	O2	H3	H4	H5
P1		1.4781	1.4032	1.4032	1.4032
O2	1.4781		2.4571	2.4571	2.4571
H3	1.4032	2.4571		2.1656	2.1656
H4	1.4032	2.4571	2.1656		2.1656
H5	1.4032	2.4571	2.1656	2.1656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.999	O2	P1	H4	116.999
O2	P1	H5	116.999	H3	P1	H4	101.003
H3	P1	H5	101.003	H4	P1	H5	101.003

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

using model chemistry: CCSD(T)=FULL/aug-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: CCSD(T)=FULL/aug-cc-pV(T+d)Z

States and conformations

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