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	hartrees
Energy at 0K	-369.238393
Energy at 298.15K	-369.244957
HF Energy	-368.902167
Nuclear repulsion energy	59.325991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2525	2525	27.02
2	A₁	2482	2482	41.91
3	A₁	1122	1122	23.71
4	A₁	1040	1040	202.75
5	A₁	543	543	1.64
6	A₂	241	241	0.00
7	E	2568	2568	132.55
7	E	2568	2568	132.55
8	E	2536	2536	0.25
8	E	2536	2536	0.25
9	E	1182	1182	7.42
9	E	1182	1182	7.42
10	E	1160	1160	3.71
10	E	1160	1160	3.71
11	E	855	855	3.90
11	E	855	855	3.90
12	E	389	389	0.72
12	E	389	389	0.72

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.384
P2	0.000	0.000	0.553
H3	0.000	-1.171	-1.665
H4	-1.014	0.585	-1.665
H5	1.014	0.585	-1.665
H6	0.000	1.238	1.205
H7	-1.072	-0.619	1.205
H8	1.072	-0.619	1.205

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9368	1.2043	1.2043	1.2043	2.8694	2.8694	2.8694
P2	1.9368		2.5084	2.5084	2.5084	1.3994	1.3994	1.3994
H3	1.2043	2.5084		2.0282	2.0282	3.7472	3.1131	3.1131
H4	1.2043	2.5084	2.0282		2.0282	3.1131	3.1131	3.7472
H5	1.2043	2.5084	2.0282	2.0282		3.1131	3.7472	3.1131
H6	2.8694	1.3994	3.7472	3.1131	3.1131		2.1449	2.1449
H7	2.8694	1.3994	3.1131	3.1131	3.7472	2.1449		2.1449
H8	2.8694	1.3994	3.1131	3.7472	3.1131	2.1449	2.1449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.755	B1	P2	H7	117.755
B1	P2	H8	117.755	P2	B1	H3	103.519
P2	B1	H4	103.519	P2	B1	H5	103.519
H3	B1	H4	114.710	H3	B1	H5	114.710
H4	B1	H5	114.710	H6	P2	H7	100.061
H6	P2	H8	100.061	H7	P2	H8	100.061

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

using model chemistry: MP3/6-311+G(3df,2p)

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

using model chemistry: MP3/6-311+G(3df,2p)

States and conformations

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