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	hartrees
Energy at 0K	-369.546324
Energy at 298.15K	-369.552783
HF Energy	-369.546324
Nuclear repulsion energy	58.870268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2421	2393	28.55
2	A₁	2404	2376	69.40
3	A₁	1054	1042	1.06
4	A₁	990	979	187.40
5	A₁	547	541	5.56
6	A₂	249	246	0.00
7	E	2504	2476	115.87
7	E	2504	2476	115.88
8	E	2417	2389	20.65
8	E	2417	2389	20.66
9	E	1107	1095	5.19
9	E	1107	1095	5.19
10	E	1091	1078	1.90
10	E	1091	1078	1.90
11	E	813	804	2.43
11	E	813	804	2.43
12	E	375	371	0.04
12	E	375	371	0.04

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.385
P2	0.000	0.000	0.551
H3	0.000	-1.182	-1.675
H4	-1.024	0.591	-1.675
H5	1.024	0.591	-1.675
H6	0.000	1.251	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		1.9360	1.2176	1.2176	1.2176	2.8991	2.8991	2.8991
P2	1.9360		2.5207	2.5207	2.5207	1.4232	1.4232	1.4232
H3	1.2176	2.5207		2.0481	2.0481	3.7898	3.1506	3.1506
H4	1.2176	2.5207	2.0481		2.0481	3.1506	3.1506	3.7898
H5	1.2176	2.5207	2.0481	2.0481		3.1506	3.7898	3.1506
H6	2.8991	1.4232	3.7898	3.1506	3.1506		2.1660	2.1660
H7	2.8991	1.4232	3.1506	3.1506	3.7898	2.1660		2.1660
H8	2.8991	1.4232	3.1506	3.7898	3.1506	2.1660	2.1660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.518	B1	P2	H7	118.518
B1	P2	H8	118.518	P2	B1	H3	103.785
P2	B1	H4	103.785	P2	B1	H5	103.785
H3	B1	H4	114.509	H3	B1	H5	114.509
H4	B1	H5	114.509	H6	P2	H7	99.096
H6	P2	H8	99.096	H7	P2	H8	99.096

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

using model chemistry: PBEPBEultrafine/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	-0.419
2	P	0.271
3	H	0.005
4	H	0.005
5	H	0.005
6	H	0.044
7	H	0.044
8	H	0.044

	x	y	z	Total
	0.000	0.000	4.058	4.058
CHELPG
AIM
ESP

<r²>	51.496
(<r²>)^1/2	7.176

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

using model chemistry: PBEPBEultrafine/6-31+G**

States and conformations

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