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	hartrees
Energy at 0K	-368.786589
Energy at 298.15K	-368.792733
HF Energy	-368.786589
Nuclear repulsion energy	56.152727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2562	2307	53.45
2	A₁	2526	2275	43.81
3	A₁	1178	1061	124.87
4	A₁	1062	957	179.74
5	A₁	271	244	48.00
6	A₂	153	138	0.00
7	E	2661	2396	235.21
7	E	2661	2396	235.21
8	E	2529	2277	24.72
8	E	2529	2277	24.72
9	E	1241	1118	15.78
9	E	1241	1118	15.78
10	E	1204	1084	4.14
10	E	1204	1084	4.14
11	E	887	798	0.01
11	E	887	798	0.01
12	E	365	329	0.00
12	E	365	329	0.00

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.550
P2	0.000	0.000	0.621
H3	0.000	-1.178	-1.789
H4	-1.020	0.589	-1.789
H5	1.020	0.589	-1.789
H6	0.000	1.250	1.267
H7	-1.082	-0.625	1.267
H8	1.082	-0.625	1.267

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.1709	1.2017	1.2017	1.2017	3.0812	3.0812	3.0812
P2	2.1709		2.6829	2.6829	2.6829	1.4066	1.4066	1.4066
H3	1.2017	2.6829		2.0396	2.0396	3.9028	3.2889	3.2889
H4	1.2017	2.6829	2.0396		2.0396	3.2889	3.2889	3.9028
H5	1.2017	2.6829	2.0396	2.0396		3.2889	3.9028	3.2889
H6	3.0812	1.4066	3.9028	3.2889	3.2889		2.1646	2.1646
H7	3.0812	1.4066	3.2889	3.2889	3.9028	2.1646		2.1646
H8	3.0812	1.4066	3.2889	3.9028	3.2889	2.1646	2.1646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.315	B1	P2	H7	117.315
B1	P2	H8	117.315	P2	B1	H3	101.507
P2	B1	H4	101.507	P2	B1	H5	101.507
H3	B1	H4	116.124	H3	B1	H5	116.124
H4	B1	H5	116.124	H6	P2	H7	100.611
H6	P2	H8	100.611	H7	P2	H8	100.611

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

using model chemistry: HF/SDD

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	-0.382
2	P	0.266
3	H	0.035
4	H	0.035
5	H	0.035
6	H	0.003
7	H	0.003
8	H	0.003

	x	y	z	Total
	0.000	0.000	4.398	4.398
CHELPG
AIM
ESP

<r²>	57.036
(<r²>)^1/2	7.552

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

using model chemistry: HF/SDD

States and conformations

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