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	hartrees
Energy at 0K	-684.050579
Energy at 298.15K	-684.055865
HF Energy	-683.789421
Nuclear repulsion energy	87.851359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	2347	2259
2	A	2340	2253
3	A	1140	1098
4	A	890	857
5	A	675	650
6	A	430	414
7	A	203	195
8	B	2357	2269
9	B	2326	2239
10	B	1135	1092
11	B	841	809
12	B	635	612

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	1.120	-0.088
P2	0.000	-1.120	-0.088
H3	-0.240	1.387	1.293
H4	1.414	1.255	0.020
H5	0.240	-1.387	1.293
H6	-1.414	-1.255	0.020

	P1	P2	H3	H4	H5	H6
P1		2.2405	1.4265	1.4246	2.8719	2.7662
P2	2.2405		2.8719	2.7662	1.4265	1.4246
H3	1.4265	2.8719		2.0912	2.8142	3.1586
H4	1.4246	2.7662	2.0912		3.1586	3.7811
H5	2.8719	1.4265	2.8142	3.1586		2.0912
H6	2.7662	1.4246	3.1586	3.7811	2.0912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	P2	H5	100.761	P1	P2	H6	95.415
P2	P1	H3	100.761	P2	P1	H4	95.415
H3	P1	H4	94.358	H5	P2	H6	94.358

All results from a given calculation for P₂H₄ (Diphosphine)

using model chemistry: CCSD(T)/6-311G*

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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All results from a given calculation for P2H4 (Diphosphine)

using model chemistry: CCSD(T)/6-311G*

States and conformations

All results from a given calculation for P₂H₄ (Diphosphine)