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	hartrees
Energy at 0K	-369.068566
Energy at 298.15K	-369.075200
HF Energy	-368.852500
Nuclear repulsion energy	59.124130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2587	2438	32.49
2	A₁	2545	2398	45.35
3	A₁	1160	1093	18.63
4	A₁	1080	1017	208.31
5	A₁	544	513	0.61
6	A₂	260	245	0.00
7	E	2639	2487	134.58
7	E	2639	2487	134.58
8	E	2602	2452	11.96
8	E	2602	2452	11.96
9	E	1201	1132	6.71
9	E	1201	1132	6.71
10	E	1173	1105	9.46
10	E	1173	1105	9.46
11	E	895	843	2.65
11	E	895	843	2.65
12	E	407	383	1.49
12	E	407	383	1.49

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.387
P2	0.000	0.000	0.556
H3	0.000	-1.171	-1.678
H4	-1.014	0.585	-1.678
H5	1.014	0.585	-1.678
H6	0.000	1.243	1.209
H7	-1.076	-0.621	1.209
H8	1.076	-0.621	1.209

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9433	1.2063	1.2063	1.2063	2.8785	2.8785	2.8785
P2	1.9433		2.5219	2.5219	2.5219	1.4038	1.4038	1.4038
H3	1.2063	2.5219		2.0280	2.0280	3.7627	3.1294	3.1294
H4	1.2063	2.5219	2.0280		2.0280	3.1294	3.1294	3.7627
H5	1.2063	2.5219	2.0280	2.0280		3.1294	3.7627	3.1294
H6	2.8785	1.4038	3.7627	3.1294	3.1294		2.1521	2.1521
H7	2.8785	1.4038	3.1294	3.1294	3.7627	2.1521		2.1521
H8	2.8785	1.4038	3.1294	3.7627	3.1294	2.1521	2.1521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.731	B1	P2	H7	117.731
B1	P2	H8	117.731	P2	B1	H3	103.923
P2	B1	H4	103.923	P2	B1	H5	103.923
H3	B1	H4	114.403	H3	B1	H5	114.403
H4	B1	H5	114.403	H6	P2	H7	100.091
H6	P2	H8	100.091	H7	P2	H8	100.091

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

using model chemistry: MP2=FULL/6-31G*

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=FULL/6-31G*

States and conformations

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