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	hartrees
Energy at 0K	-417.830303
Energy at 298.15K	-417.834867
HF Energy	-417.402062
Nuclear repulsion energy	65.970319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2487	2487	66.80
2	A₁	1292	1292	197.15
3	A₁	1182	1182	2.69
4	E	2475	2475	71.96
4	E	2475	2475	71.96
5	E	1159	1159	25.01
5	E	1159	1159	25.01
6	E	868	868	26.93
6	E	868	868	26.93

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.380
O2	0.000	0.000	-1.093
H3	0.000	1.255	1.012
H4	-1.087	-0.627	1.012
H5	1.087	-0.627	1.012

	P1	O2	H3	H4	H5
P1		1.4731	1.4050	1.4050	1.4050
O2	1.4731		2.4506	2.4506	2.4506
H3	1.4050	2.4506		2.1735	2.1735
H4	1.4050	2.4506	2.1735		2.1735
H5	1.4050	2.4506	2.1735	2.1735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.727	O2	P1	H4	116.727
O2	P1	H5	116.727	H3	P1	H4	101.339
H3	P1	H5	101.339	H4	P1	H5	101.339

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

using model chemistry: CCD/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: CCD/aug-cc-pV(T+d)Z

States and conformations

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