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	hartrees
Energy at 0K	-417.313201
Energy at 298.15K	-417.317752
HF Energy	-417.313201
Nuclear repulsion energy	66.356508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2647	2389	92.58
2	A₁	1389	1254	307.97
3	A₁	1282	1157	6.15
4	E	2618	2363	165.50
4	E	2618	2363	165.50
5	E	1238	1117	72.70
5	E	1238	1117	72.70
6	E	956	863	59.19
6	E	956	863	59.19

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.378
O2	0.000	0.000	-1.087
H3	0.000	1.245	1.009
H4	-1.078	-0.622	1.009
H5	1.078	-0.622	1.009

	P1	O2	H3	H4	H5
P1		1.4649	1.3958	1.3958	1.3958
O2	1.4649		2.4380	2.4380	2.4380
H3	1.3958	2.4380		2.1561	2.1561
H4	1.3958	2.4380	2.1561		2.1561
H5	1.3958	2.4380	2.1561	2.1561

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: HF/6-31G**

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	1.051
2	O	-0.721
3	H	-0.110
4	H	-0.110
5	H	-0.110

	x	y	z	Total
	0.000	0.000	4.189	4.189
CHELPG
AIM
ESP

<r²>	31.886
(<r²>)^1/2	5.647

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

using model chemistry: HF/6-31G**

States and conformations

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