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	hartrees
Energy at 0K	-342.989981
Energy at 298.15K	-342.994469
HF Energy	-342.989981
Nuclear repulsion energy	23.327487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2577	2341	19.76	161.60	0.10	0.18
2	A₁	1854	1684	5.39	396.15	0.29	0.45
3	A₁	1074	976	0.00	64.69	0.29	0.45
4	A₁	997	906	23.91	45.91	0.19	0.32
5	A₂	1289	1171	0.00	22.23	0.75	0.86
6	B₁	2587	2351	47.87	68.07	0.75	0.86
7	B₁	889	808	15.97	0.38	0.75	0.86
8	B₂	1485	1349	510.33	1.36	0.75	0.86
9	B₂	1181	1073	339.46	11.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.076
H2	0.000	1.498	0.234
H3	0.000	-1.498	0.234
H4	1.084	0.000	-0.803
H5	-1.084	0.000	-0.803

	P1	H2	H3	H4	H5
P1		1.5068	1.5068	1.3958	1.3958
H2	1.5068		2.9970	2.1208	2.1208
H3	1.5068	2.9970		2.1208	2.1208
H4	1.3958	2.1208	2.1208		2.1690
H5	1.3958	2.1208	2.1208	2.1690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	P1	H3	167.918	H2	P1	H4	93.799
H2	P1	H5	93.799	H3	P1	H4	93.799
H3	P1	H5	93.799	H4	P1	H5	101.966

All results from a given calculation for PH₄ (Phosphoranyl radical)

using model chemistry: HF/aug-cc-pVQZ

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	0.246
2	H	-0.118
3	H	-0.118
4	H	-0.006
5	H	-0.006

	x	y	z	Total
	0.000	0.000	-0.441	0.441
CHELPG
AIM
ESP

<r²>	19.026
(<r²>)^1/2	4.362

All results from a given calculation for PH4 (Phosphoranyl radical)

using model chemistry: HF/aug-cc-pVQZ

States and conformations

All results from a given calculation for PH₄ (Phosphoranyl radical)