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	hartrees
Energy at 0K	-369.815942
Energy at 298.15K	-369.822378
HF Energy	-369.815942
Nuclear repulsion energy	59.021545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2409	2409	51.82
2	A₁	2385	2385	35.96
3	A₁	1070	1070	6.29
4	A₁	1002	1002	201.61
5	A₁	512	512	2.61
6	A₂	232	232	0.00
7	E	2465	2465	130.99
7	E	2465	2465	130.99
8	E	2415	2415	5.13
8	E	2415	2415	5.13
9	E	1126	1126	8.00
9	E	1126	1126	7.99
10	E	1104	1104	1.21
10	E	1104	1104	1.21
11	E	817	817	3.58
11	E	817	817	3.57
12	E	374	374	0.05
12	E	374	374	0.06

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.387
P2	0.000	0.000	0.553
H3	0.000	-1.178	-1.671
H4	-1.021	0.589	-1.671
H5	1.021	0.589	-1.671
H6	0.000	1.245	1.220
H7	-1.078	-0.622	1.220
H8	1.078	-0.622	1.220

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9400	1.2123	1.2123	1.2123	2.8891	2.8891	2.8891
P2	1.9400		2.5171	2.5171	2.5171	1.4123	1.4123	1.4123
H3	1.2123	2.5171		2.0412	2.0412	3.7726	3.1355	3.1355
H4	1.2123	2.5171	2.0412		2.0412	3.1355	3.1355	3.7726
H5	1.2123	2.5171	2.0412	2.0412		3.1355	3.7726	3.1355
H6	2.8891	1.4123	3.7726	3.1355	3.1355		2.1561	2.1561
H7	2.8891	1.4123	3.1355	3.1355	3.7726	2.1561		2.1561
H8	2.8891	1.4123	3.1355	3.7726	3.1355	2.1561	2.1561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.189	B1	P2	H7	118.189
B1	P2	H8	118.189	P2	B1	H3	103.559
P2	B1	H4	103.559	P2	B1	H5	103.559
H3	B1	H4	114.680	H3	B1	H5	114.680
H4	B1	H5	114.680	H6	P2	H7	99.514
H6	P2	H8	99.514	H7	P2	H8	99.514

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

using model chemistry: B97D3/cc-pVQZ

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	0.048
2	P	0.295
3	H	-0.161
4	H	-0.161
5	H	-0.161
6	H	0.046
7	H	0.046
8	H	0.046

	x	y	z	Total
	0.000	0.000	3.877	3.877
CHELPG
AIM
ESP

<r²>	51.214
(<r²>)^1/2	7.156

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

using model chemistry: B97D3/cc-pVQZ

States and conformations

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