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	hartrees
Energy at 0K	-417.888278
Energy at 298.15K	-417.892756
HF Energy	-417.392185
Nuclear repulsion energy	65.732855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2483	2361	69.00
2	A₁	1269	1206	186.40
3	A₁	1166	1109	2.30
4	E	2470	2349	73.28
4	E	2470	2349	73.28
5	E	1162	1105	23.87
5	E	1162	1105	23.87
6	E	856	815	25.42
6	E	856	815	25.42

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.383
O2	0.000	0.000	-1.099
H3	0.000	1.252	1.017
H4	-1.085	-0.626	1.017
H5	1.085	-0.626	1.017

	P1	O2	H3	H4	H5
P1		1.4811	1.4040	1.4040	1.4040
O2	1.4811		2.4585	2.4585	2.4585
H3	1.4040	2.4585		2.1694	2.1694
H4	1.4040	2.4585	2.1694		2.1694
H5	1.4040	2.4585	2.1694	2.1694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.865	O2	P1	H4	116.865
O2	P1	H5	116.865	H3	P1	H4	101.169
H3	P1	H5	101.169	H4	P1	H5	101.169

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/aug-cc-pVTZ

States and conformations

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