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	hartrees
Energy at 0K	-417.958618
Energy at 298.15K	-417.963181
HF Energy	-417.402213
Nuclear repulsion energy	66.093012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2490	2490	67.44
2	A₁	1285	1285	187.63
3	A₁	1175	1175	3.45
4	E	2473	2473	73.00
4	E	2473	2473	73.00
5	E	1166	1166	24.30
5	E	1166	1166	24.31
6	E	864	864	26.30
6	E	864	864	26.29

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.380
O2	0.000	0.000	-1.092
H3	0.000	1.249	1.013
H4	-1.081	-0.624	1.013
H5	1.081	-0.624	1.013

	P1	O2	H3	H4	H5
P1		1.4712	1.4002	1.4002	1.4002
O2	1.4712		2.4472	2.4472	2.4472
H3	1.4002	2.4472		2.1630	2.1630
H4	1.4002	2.4472	2.1630		2.1630
H5	1.4002	2.4472	2.1630	2.1630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.894	O2	P1	H4	116.894
O2	P1	H5	116.894	H3	P1	H4	101.133
H3	P1	H5	101.133	H4	P1	H5	101.133

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

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

States and conformations

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