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	hartrees
Energy at 0K	-369.272490
Energy at 298.15K	-369.278995
HF Energy	-368.905909
Nuclear repulsion energy	59.038562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2488	2413
2	A₁	2456	2382
3	A₁	1107	1073
4	A₁	1021	991
5	A₁	526	510
6	A₂	237	230
7	E	2539	2463
7	E	2539	2462
8	E	2499	2424
8	E	2499	2424
9	E	1167	1132
9	E	1167	1132
10	E	1140	1106
10	E	1140	1105
11	E	843	818
11	E	843	818
12	E	375	364
12	E	375	364

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.392
P2	0.000	0.000	0.556
H3	0.000	-1.175	-1.671
H4	-1.018	0.588	-1.671
H5	1.018	0.588	-1.671
H6	0.000	1.244	1.212
H7	-1.077	-0.622	1.212
H8	1.077	-0.622	1.212

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9483	1.2080	1.2080	1.2080	2.8859	2.8859	2.8859
P2	1.9483		2.5179	2.5179	2.5179	1.4061	1.4061	1.4061
H3	1.2080	2.5179		2.0360	2.0360	3.7632	3.1266	3.1266
H4	1.2080	2.5179	2.0360		2.0360	3.1266	3.1266	3.7632
H5	1.2080	2.5179	2.0360	2.0360		3.1266	3.7632	3.1266
H6	2.8859	1.4061	3.7632	3.1266	3.1266		2.1544	2.1544
H7	2.8859	1.4061	3.1266	3.1266	3.7632	2.1544		2.1544
H8	2.8859	1.4061	3.1266	3.7632	3.1266	2.1544	2.1544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.799	B1	P2	H7	117.799
B1	P2	H8	117.799	P2	B1	H3	103.324
P2	B1	H4	103.324	P2	B1	H5	103.324
H3	B1	H4	114.856	H3	B1	H5	114.856
H4	B1	H5	114.856	H6	P2	H7	100.006
H6	P2	H8	100.006	H7	P2	H8	100.006

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

using model chemistry: CCSD(T)/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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All results from a given calculation for BH3PH3 (borane phosphine)

using model chemistry: CCSD(T)/aug-cc-pVTZ

States and conformations

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