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	hartrees
Energy at 0K	-417.820763
Energy at 298.15K	-417.825244
HF Energy	-417.392069
Nuclear repulsion energy	65.635425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2481	2374	67.94
2	A₁	1275	1220	195.16
3	A₁	1174	1123	1.69
4	E	2471	2365	71.80
4	E	2471	2365	71.79
5	E	1155	1105	24.33
5	E	1155	1105	24.33
6	E	861	824	25.91
6	E	861	824	25.91

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.383
O2	0.000	0.000	-1.099
H3	0.000	1.258	1.016
H4	-1.090	-0.629	1.016
H5	1.090	-0.629	1.016

	P1	O2	H3	H4	H5
P1		1.4823	1.4084	1.4084	1.4084
O2	1.4823		2.4612	2.4612	2.4612
H3	1.4084	2.4612		2.1792	2.1792
H4	1.4084	2.4612	2.1792		2.1792
H5	1.4084	2.4612	2.1792	2.1792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.706	O2	P1	H4	116.706
O2	P1	H5	116.706	H3	P1	H4	101.364
H3	P1	H5	101.364	H4	P1	H5	101.364

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

using model chemistry: CCD/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: CCD/aug-cc-pVTZ

States and conformations

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