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	hartrees
Energy at 0K	-369.052748
Energy at 298.15K	-369.059374
HF Energy	-368.852631
Nuclear repulsion energy	59.035146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2587	2440	32.18
2	A₁	2544	2399	45.79
3	A₁	1160	1093	20.12
4	A₁	1079	1017	209.62
5	A₁	539	508	0.40
6	A₂	259	244	0.00
7	E	2638	2487	137.09
7	E	2638	2487	137.09
8	E	2602	2454	10.84
8	E	2602	2454	10.84
9	E	1202	1133	7.02
9	E	1202	1133	7.02
10	E	1173	1106	9.36
10	E	1173	1106	9.36
11	E	895	844	2.45
11	E	895	844	2.45
12	E	406	382	1.47
12	E	406	382	1.47

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.391
P2	0.000	0.000	0.558
H3	0.000	-1.172	-1.681
H4	-1.015	0.586	-1.681
H5	1.015	0.586	-1.681
H6	0.000	1.243	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		1.9490	1.2069	1.2069	1.2069	2.8834	2.8834	2.8834
P2	1.9490		2.5266	2.5266	2.5266	1.4039	1.4039	1.4039
H3	1.2069	2.5266		2.0294	2.0294	3.7669	3.1338	3.1338
H4	1.2069	2.5266	2.0294		2.0294	3.1338	3.1338	3.7669
H5	1.2069	2.5266	2.0294	2.0294		3.1338	3.7669	3.1338
H6	2.8834	1.4039	3.7669	3.1338	3.1338		2.1527	2.1527
H7	2.8834	1.4039	3.1338	3.1338	3.7669	2.1527		2.1527
H8	2.8834	1.4039	3.1338	3.7669	3.1338	2.1527	2.1527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.710	B1	P2	H7	117.710
B1	P2	H8	117.710	P2	B1	H3	103.878
P2	B1	H4	103.878	P2	B1	H5	103.878
H3	B1	H4	114.438	H3	B1	H5	114.438
H4	B1	H5	114.438	H6	P2	H7	100.118
H6	P2	H8	100.118	H7	P2	H8	100.118

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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