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	hartrees
Energy at 0K	-369.619433
Energy at 298.15K	-369.625977
HF Energy	-369.619433
Nuclear repulsion energy	59.235277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2484	2383	42.15
2	A₁	2457	2358	35.63
3	A₁	1091	1046	1.50
4	A₁	1019	978	197.49
5	A₁	553	531	3.79
6	A₂	247	237	0.00
7	E	2544	2440	123.32
7	E	2544	2440	123.33
8	E	2493	2391	5.37
8	E	2492	2391	5.38
9	E	1142	1096	8.70
9	E	1142	1096	8.70
10	E	1127	1081	0.95
10	E	1127	1081	0.95
11	E	840	805	3.11
11	E	840	805	3.11
12	E	388	372	0.56
12	E	388	372	0.56

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.377
P2	0.000	0.000	0.550
H3	0.000	-1.174	-1.666
H4	-1.017	0.587	-1.666
H5	1.017	0.587	-1.666
H6	0.000	1.247	1.213
H7	-1.080	-0.623	1.213
H8	1.080	-0.623	1.213

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9270	1.2092	1.2092	1.2092	2.8746	2.8746	2.8746
P2	1.9270		2.5080	2.5080	2.5080	1.4120	1.4120	1.4120
H3	1.2092	2.5080		2.0337	2.0337	3.7617	3.1241	3.1241
H4	1.2092	2.5080	2.0337		2.0337	3.1241	3.1241	3.7617
H5	1.2092	2.5080	2.0337	2.0337		3.1241	3.7617	3.1241
H6	2.8746	1.4120	3.7617	3.1241	3.1241		2.1590	2.1590
H7	2.8746	1.4120	3.1241	3.1241	3.7617	2.1590		2.1590
H8	2.8746	1.4120	3.1241	3.7617	3.1241	2.1590	2.1590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.017	B1	P2	H7	118.017
B1	P2	H8	118.017	P2	B1	H3	103.835
P2	B1	H4	103.835	P2	B1	H5	103.835
H3	B1	H4	114.471	H3	B1	H5	114.471
H4	B1	H5	114.471	H6	P2	H7	99.731
H6	P2	H8	99.731	H7	P2	H8	99.731

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

using model chemistry: PBE1PBE/6-311G**

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	-0.436
2	P	0.317
3	H	0.001
4	H	0.001
5	H	0.001
6	H	0.038
7	H	0.038
8	H	0.038

	x	y	z	Total
	0.000	0.000	4.265	4.265
CHELPG
AIM
ESP

<r²>	51.049
(<r²>)^1/2	7.145

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

using model chemistry: PBE1PBE/6-311G**

States and conformations

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