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	hartrees
Energy at 0K	-369.566306
Energy at 298.15K	-369.572786
HF Energy	-369.566306
Nuclear repulsion energy	59.006763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2396	2371	21.88
2	A₁	2378	2353	71.61
3	A₁	1060	1049	3.75
4	A₁	993	982	185.75
5	A₁	555	550	5.43
6	A₂	246	244	0.00
7	E	2479	2453	105.62
7	E	2479	2453	105.63
8	E	2387	2363	19.10
8	E	2387	2363	19.11
9	E	1116	1105	7.50
9	E	1116	1105	7.50
10	E	1091	1079	0.00
10	E	1091	1079	0.00
11	E	819	811	3.82
11	E	819	811	3.82
12	E	381	377	0.11
12	E	381	377	0.11

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.378
P2	0.000	0.000	0.548
H3	0.000	-1.181	-1.672
H4	-1.022	0.590	-1.672
H5	1.022	0.590	-1.672
H6	0.000	1.250	1.230
H7	-1.083	-0.625	1.230
H8	1.083	-0.625	1.230

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9260	1.2165	1.2165	1.2165	2.8921	2.8921	2.8921
P2	1.9260		2.5140	2.5140	2.5140	1.4242	1.4242	1.4242
H3	1.2165	2.5140		2.0447	2.0447	3.7852	3.1464	3.1464
H4	1.2165	2.5140	2.0447		2.0447	3.1464	3.1464	3.7852
H5	1.2165	2.5140	2.0447	2.0447		3.1464	3.7852	3.1464
H6	2.8921	1.4242	3.7852	3.1464	3.1464		2.1656	2.1656
H7	2.8921	1.4242	3.1464	3.1464	3.7852	2.1656		2.1656
H8	2.8921	1.4242	3.1464	3.7852	3.1464	2.1656	2.1656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.607	B1	P2	H7	118.607
B1	P2	H8	118.607	P2	B1	H3	103.967
P2	B1	H4	103.967	P2	B1	H5	103.967
H3	B1	H4	114.369	H3	B1	H5	114.369
H4	B1	H5	114.369	H6	P2	H7	98.982
H6	P2	H8	98.982	H7	P2	H8	98.982

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

using model chemistry: PBEPBE/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	-0.581
2	P	0.067
3	H	0.060
4	H	0.060
5	H	0.060
6	H	0.111
7	H	0.111
8	H	0.111

	x	y	z	Total
	0.000	0.000	4.051	4.051
CHELPG
AIM
ESP

<r²>	51.381
(<r²>)^1/2	7.168

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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