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	hartrees
Energy at 0K	-369.713833
Energy at 298.15K	-369.720306
HF Energy	-369.713833
Nuclear repulsion energy	58.898877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2520	2400	37.21
2	A₁	2494	2375	46.56
3	A₁	1104	1051	8.76
4	A₁	1030	981	235.70
5	A₁	500	476	0.02
6	A₂	247	235	0.00
7	E	2603	2479	130.67
7	E	2603	2479	131.22
8	E	2509	2389	18.37
8	E	2508	2389	19.01
9	E	1165	1109	7.45
9	E	1165	1109	7.45
10	E	1150	1095	4.64
10	E	1150	1095	4.65
11	E	846	806	1.38
11	E	846	806	1.32
12	E	370	352	1.07
12	E	369	352	1.07

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.402
P2	0.000	0.000	0.559
H3	0.000	-1.174	-1.677
H4	-1.017	0.587	-1.677
H5	1.017	0.587	-1.677
H6	0.000	1.240	1.219
H7	-1.074	-0.620	1.219
H8	1.074	-0.620	1.219

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9606	1.2056	1.2056	1.2056	2.8996	2.8996	2.8996
P2	1.9606		2.5250	2.5250	2.5250	1.4049	1.4049	1.4049
H3	1.2056	2.5250		2.0330	2.0330	3.7701	3.1381	3.1381
H4	1.2056	2.5250	2.0330		2.0330	3.1381	3.1381	3.7701
H5	1.2056	2.5250	2.0330	2.0330		3.1381	3.7701	3.1381
H6	2.8996	1.4049	3.7701	3.1381	3.1381		2.1476	2.1476
H7	2.8996	1.4049	3.1381	3.1381	3.7701	2.1476		2.1476
H8	2.8996	1.4049	3.1381	3.7701	3.1381	2.1476	2.1476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.044	B1	P2	H7	118.044
B1	P2	H8	118.044	P2	B1	H3	103.190
P2	B1	H4	103.190	P2	B1	H5	103.190
H3	B1	H4	114.955	H3	B1	H5	114.955
H4	B1	H5	114.955	H6	P2	H7	99.697
H6	P2	H8	99.697	H7	P2	H8	99.697

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

using model chemistry: M06-2X/6-31+G**

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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Number	Element	Mulliken
1	B	-0.307
2	P	0.340
3	H	-0.030
4	H	-0.030
5	H	-0.030
6	H	0.019
7	H	0.019
8	H	0.019

	x	y	z
x	5.587	0.000	0.000
y	0.000	5.583	-0.009
z	0.000	-0.009	7.731

<r²>	51.692
(<r²>)^1/2	7.190

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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