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	hartrees
Energy at 0K	-368.918522
Energy at 298.15K	-368.924853
HF Energy	-368.785637
Nuclear repulsion energy	56.953694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2450	2365	44.73
2	A₁	2427	2343	41.06
3	A₁	1126	1087	54.32
4	A₁	1036	1000	174.72
5	A₁	399	385	15.94
6	A₂	189	182	0.00
7	E	2560	2471	164.97
7	E	2560	2471	164.97
8	E	2439	2355	19.04
8	E	2439	2355	19.04
9	E	1156	1116	13.29
9	E	1156	1116	13.29
10	E	1132	1093	0.51
10	E	1132	1093	0.51
11	E	871	841	0.22
11	E	871	841	0.22
12	E	384	370	0.02
12	E	384	370	0.02

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.483
P2	0.000	0.000	0.596
H3	0.000	-1.185	-1.757
H4	-1.026	0.593	-1.757
H5	1.026	0.593	-1.757
H6	0.000	1.261	1.249
H7	-1.092	-0.630	1.249
H8	1.092	-0.630	1.249

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.0791	1.2165	1.2165	1.2165	3.0085	3.0085	3.0085
P2	2.0791		2.6350	2.6350	2.6350	1.4195	1.4195	1.4195
H3	1.2165	2.6350		2.0528	2.0528	3.8752	3.2458	3.2458
H4	1.2165	2.6350	2.0528		2.0528	3.2458	3.2458	3.8752
H5	1.2165	2.6350	2.0528	2.0528		3.2458	3.8752	3.2458
H6	3.0085	1.4195	3.8752	3.2458	3.2458		2.1835	2.1835
H7	3.0085	1.4195	3.2458	3.2458	3.8752	2.1835		2.1835
H8	3.0085	1.4195	3.2458	3.8752	3.2458	2.1835	2.1835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.366	B1	P2	H7	117.366
B1	P2	H8	117.366	P2	B1	H3	103.031
P2	B1	H4	103.031	P2	B1	H5	103.031
H3	B1	H4	115.071	H3	B1	H5	115.071
H4	B1	H5	115.071	H6	P2	H7	100.547
H6	P2	H8	100.547	H7	P2	H8	100.547

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

using model chemistry: MP2/SDD

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: MP2/SDD

States and conformations

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