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	hartrees
Energy at 0K	-15.022203
Energy at 298.15K	-15.027621
Nuclear repulsion energy	18.272394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2530	2286	113.02
2	A	2518	2275	16.49
3	A	1215	1098	17.51
4	A	952	860	0.04
5	A	708	640	10.53
6	A	475	429	0.48
7	A	215	195	2.81
8	B	2533	2288	147.59
9	B	2509	2267	43.55
10	B	1203	1087	33.80
11	B	898	811	64.41
12	B	669	604	15.02

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	1.122	-0.209
P2	0.000	-1.122	-0.209
H3	-0.235	1.373	1.169
H4	1.410	1.267	-0.124
H5	0.235	-1.373	1.169
H6	-1.410	-1.267	-0.124

	P1	P2	H3	H4	H5	H6
P1		2.2446	1.4201	1.4201	2.8601	2.7757
P2	2.2446		2.8601	2.7757	1.4201	1.4201
H3	1.4201	2.8601		2.0948	2.7858	3.1660
H4	1.4201	2.7757	2.0948		3.1660	3.7915
H5	2.8601	1.4201	2.7858	3.1660		2.0948
H6	2.7757	1.4201	3.1660	3.7915	2.0948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	P2	H5	100.169	P1	P2	H6	95.852
P2	P1	H3	100.169	P2	P1	H4	95.852
H3	P1	H4	95.052	H5	P2	H6	95.052

All results from a given calculation for P₂H₄ (Diphosphine)

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	P	-0.056
2	P	-0.056
3	H	0.028
4	H	0.029
5	H	0.028
6	H	0.029

	x	y	z	Total
	0.000	0.000	1.284	1.284
CHELPG
AIM
ESP

	x	y	z
x	6.269	0.383	0.000
y	0.383	9.259	0.000
z	0.000	0.000	5.971

<r²>	44.462
(<r²>)^1/2	6.668

All results from a given calculation for P2H4 (Diphosphine)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for P₂H₄ (Diphosphine)