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	hartrees
Energy at 0K	-684.152486
Energy at 298.15K	-684.157796
Nuclear repulsion energy	88.726171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2476	2359	44.77
2	A	2464	2348	9.47
3	A	1133	1080	10.62
4	A	887	845	0.00
5	A	651	620	5.70
6	A	454	432	0.91
7	A	213	203	2.49
8	B	2480	2363	60.64
9	B	2460	2344	17.08
10	B	1123	1070	27.41
11	B	817	778	44.61
12	B	628	598	9.64

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	1.110	-0.086
P2	0.000	-1.110	-0.086
H3	-0.205	1.347	1.291
H4	1.405	1.222	-0.000
H5	0.205	-1.347	1.291
H6	-1.405	-1.222	-0.000

	P1	P2	H3	H4	H5	H6
P1		2.2210	1.4122	1.4123	2.8245	2.7246
P2	2.2210		2.8245	2.7246	1.4122	1.4123
H3	1.4122	2.8245		2.0683	2.7251	3.1158
H4	1.4123	2.7246	2.0683		3.1158	3.7248
H5	2.8245	1.4122	2.7251	3.1158		2.0683
H6	2.7246	1.4123	3.1158	3.7248	2.0683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	P2	H5	99.641	P1	P2	H6	94.536
P2	P1	H3	99.641	P2	P1	H4	94.536
H3	P1	H4	94.152	H5	P2	H6	94.152

All results from a given calculation for P₂H₄ (Diphosphine)

using model chemistry: MP2/aug-cc-pVTZ

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: MP2/aug-cc-pVTZ

States and conformations

All results from a given calculation for P₂H₄ (Diphosphine)