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	hartrees
Energy at 0K	-23.774157
Energy at 298.15K	-23.778673
HF Energy	-23.774157
Nuclear repulsion energy	20.911021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2571	2322	75.39
2	A₁	1312	1185	288.40
3	A₁	1223	1105	2.05
4	E	2565	2317	125.02
4	E	2565	2317	125.02
5	E	1205	1089	51.56
5	E	1205	1089	51.56
6	E	908	821	47.74
6	E	908	821	47.74

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.383
O2	0.000	0.000	-1.100
H3	0.000	1.265	1.015
H4	-1.095	-0.632	1.015
H5	1.095	-0.632	1.015

	P1	O2	H3	H4	H5
P1		1.4831	1.4135	1.4135	1.4135
O2	1.4831		2.4637	2.4637	2.4637
H3	1.4135	2.4637		2.1905	2.1905
H4	1.4135	2.4637	2.1905		2.1905
H5	1.4135	2.4637	2.1905	2.1905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.529	O2	P1	H4	116.529
O2	P1	H5	116.529	H3	P1	H4	101.581
H3	P1	H5	101.581	H4	P1	H5	101.582

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

using model chemistry: HF/CEP-121G*

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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Number	Element	Mulliken
1	P	0.582
2	O	-0.603
3	H	0.007
4	H	0.007
5	H	0.007

	x	y	z	Total
	0.000	0.000	4.321	4.321
CHELPG
AIM
ESP

<r²>	27.906
(<r²>)^1/2	5.283

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

using model chemistry: HF/CEP-121G*

States and conformations

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