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	hartrees
Energy at 0K	-365.623769
Energy at 298.15K	-365.630333
HF Energy	-365.623769
Nuclear repulsion energy	59.427836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2899	2560	7.97
2	A₁	2854	2520	4.26
3	A₁	1346	1189	70.72
4	A₁	1182	1044	183.80
5	A₁	595	525	0.31
6	A₂	185	164	0.00
7	E	3074	2715	21.89
7	E	3074	2715	21.88
8	E	2909	2569	0.18
8	E	2909	2569	0.18
9	E	1429	1262	4.63
9	E	1429	1262	4.63
10	E	1309	1155	14.96
10	E	1309	1155	14.95
11	E	1012	894	0.36
11	E	1012	894	0.37
12	E	464	409	0.37
12	E	464	409	0.37

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.395
P2	0.000	0.000	0.557
H3	0.000	-1.132	-1.680
H4	-0.980	0.566	-1.680
H5	0.980	0.566	-1.680
H6	0.000	1.229	1.219
H7	-1.064	-0.614	1.219
H8	1.064	-0.614	1.219

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9524	1.1674	1.1674	1.1674	2.8887	2.8887	2.8887
P2	1.9524		2.5077	2.5077	2.5077	1.3956	1.3956	1.3956
H3	1.1674	2.5077		1.9608	1.9608	3.7391	3.1318	3.1318
H4	1.1674	2.5077	1.9608		1.9608	3.1318	3.1318	3.7391
H5	1.1674	2.5077	1.9608	1.9608		3.1318	3.7391	3.1318
H6	2.8887	1.3956	3.7391	3.1318	3.1318		2.1279	2.1279
H7	2.8887	1.3956	3.1318	3.1318	3.7391	2.1279		2.1279
H8	2.8887	1.3956	3.1318	3.7391	3.1318	2.1279	2.1279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.318	B1	P2	H7	118.318
B1	P2	H8	118.318	P2	B1	H3	104.142
P2	B1	H4	104.142	P2	B1	H5	104.142
H3	B1	H4	114.233	H3	B1	H5	114.233
H4	B1	H5	114.233	H6	P2	H7	99.350
H6	P2	H8	99.350	H7	P2	H8	99.350

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

using model chemistry: B1B95/STO-3G

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	-0.181
2	P	0.477
3	H	-0.085
4	H	-0.085
5	H	-0.085
6	H	-0.014
7	H	-0.014
8	H	-0.014

	x	y	z
x	2.310	0.000	0.000
y	0.000	2.311	-0.000
z	0.000	-0.000	3.207

<r²>	49.723
(<r²>)^1/2	7.051

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

using model chemistry: B1B95/STO-3G

States and conformations

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