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	hartrees
Energy at 0K	-369.215311
Energy at 298.15K
HF Energy	-368.908786
Nuclear repulsion energy	59.508356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2547	2547
2	A₁	2502	2502
3	A₁	1119	1119
4	A₁	1041	1041
5	A₁	555	555
6	A₂	250	250
7	E	2595	2595
7	E	2595	2595
8	E	2559	2559
8	E	2559	2559
9	E	1186	1186
9	E	1186	1186
10	E	1166	1166
10	E	1166	1166
11	E	851	851
11	E	851	851
12	E	384	384
12	E	384	384

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.377
P2	0.000	0.000	0.550
H3	0.000	-1.169	-1.658
H4	-1.013	0.585	-1.658
H5	1.013	0.585	-1.658
H6	0.000	1.237	1.200
H7	-1.071	-0.619	1.200
H8	1.071	-0.619	1.200

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9274	1.2028	1.2028	1.2028	2.8590	2.8590	2.8590
P2	1.9274		2.4990	2.4990	2.4990	1.3975	1.3975	1.3975
H3	1.2028	2.4990		2.0256	2.0256	3.7367	3.1020	3.1020
H4	1.2028	2.4990	2.0256		2.0256	3.1020	3.1020	3.7367
H5	1.2028	2.4990	2.0256	2.0256		3.1020	3.7367	3.1020
H6	2.8590	1.3975	3.7367	3.1020	3.1020		2.1428	2.1428
H7	2.8590	1.3975	3.1020	3.1020	3.7367	2.1428		2.1428
H8	2.8590	1.3975	3.1020	3.7367	3.1020	2.1428	2.1428

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.718	B1	P2	H7	117.718
B1	P2	H8	117.718	P2	B1	H3	103.514
P2	B1	H4	103.514	P2	B1	H5	103.514
H3	B1	H4	114.714	H3	B1	H5	114.714
H4	B1	H5	114.714	H6	P2	H7	100.108
H6	P2	H8	100.108	H7	P2	H8	100.108

All results from a given calculation for BH₃PH₃ (borane phosphine)

using model chemistry: ROMP2/cc-pV(T+d)Z

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	B	-0.397
2	P	0.305
3	H	-0.007
4	H	-0.007
5	H	-0.007
6	H	0.037
7	H	0.037
8	H	0.037

<r²>	50.907
(<r²>)^1/2	7.135

All results from a given calculation for BH3PH3 (borane phosphine)

using model chemistry: ROMP2/cc-pV(T+d)Z

States and conformations

All results from a given calculation for BH₃PH₃ (borane phosphine)