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	hartrees
Energy at 0K	-369.265009
Energy at 298.15K	-369.271534
HF Energy	-368.905395
Nuclear repulsion energy	59.092779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2503	2426
2	A₁	2468	2392
3	A₁	1110	1075
4	A₁	1028	997
5	A₁	530	514
6	A₂	241	233
7	E	2556	2477
7	E	2556	2477
8	E	2515	2437
8	E	2515	2437
9	E	1174	1138
9	E	1174	1138
10	E	1148	1113
10	E	1148	1113
11	E	844	818
11	E	844	818
12	E	379	368
12	E	379	367

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.391
P2	0.000	0.000	0.556
H3	0.000	-1.174	-1.670
H4	-1.016	0.587	-1.670
H5	1.016	0.587	-1.670
H6	0.000	1.242	1.211
H7	-1.076	-0.621	1.211
H8	1.076	-0.621	1.211

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9467	1.2063	1.2063	1.2063	2.8836	2.8836	2.8836
P2	1.9467		2.5164	2.5164	2.5164	1.4047	1.4047	1.4047
H3	1.2063	2.5164		2.0326	2.0326	3.7603	3.1251	3.1251
H4	1.2063	2.5164	2.0326		2.0326	3.1251	3.1251	3.7603
H5	1.2063	2.5164	2.0326	2.0326		3.1251	3.7603	3.1251
H6	2.8836	1.4047	3.7603	3.1251	3.1251		2.1518	2.1518
H7	2.8836	1.4047	3.1251	3.1251	3.7603	2.1518		2.1518
H8	2.8836	1.4047	3.1251	3.7603	3.1251	2.1518	2.1518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.821	B1	P2	H7	117.821
B1	P2	H8	117.821	P2	B1	H3	103.387
P2	B1	H4	103.387	P2	B1	H5	103.387
H3	B1	H4	114.809	H3	B1	H5	114.809
H4	B1	H5	114.809	H6	P2	H7	99.978
H6	P2	H8	99.978	H7	P2	H8	99.978

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

using model chemistry: MP4/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: MP4/cc-pVTZ

States and conformations

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