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	hartrees
Energy at 0K	-369.770417
Energy at 298.15K	-369.776863
HF Energy	-369.770417
Nuclear repulsion energy	58.768204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2417	2409	28.80
2	A₁	2379	2372	55.95
3	A₁	1073	1069	9.77
4	A₁	1002	999	204.06
5	A₁	499	498	1.89
6	A₂	232	231	0.00
7	E	2485	2477	110.30
7	E	2485	2477	110.31
8	E	2389	2382	16.42
8	E	2389	2382	16.43
9	E	1131	1127	5.82
9	E	1131	1127	5.82
10	E	1101	1098	3.06
10	E	1101	1098	3.06
11	E	817	815	3.91
11	E	817	815	3.90
12	E	380	379	0.09
12	E	380	379	0.10

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.397
P2	0.000	0.000	0.556
H3	0.000	-1.174	-1.682
H4	-1.017	0.587	-1.682
H5	1.017	0.587	-1.682
H6	0.000	1.248	1.230
H7	-1.081	-0.624	1.230
H8	1.081	-0.624	1.230

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9527	1.2085	1.2085	1.2085	2.9086	2.9086	2.9086
P2	1.9527		2.5276	2.5276	2.5276	1.4187	1.4187	1.4187
H3	1.2085	2.5276		2.0340	2.0340	3.7884	3.1552	3.1552
H4	1.2085	2.5276	2.0340		2.0340	3.1552	3.1552	3.7884
H5	1.2085	2.5276	2.0340	2.0340		3.1552	3.7884	3.1552
H6	2.9086	1.4187	3.7884	3.1552	3.1552		2.1618	2.1618
H7	2.9086	1.4187	3.1552	3.1552	3.7884	2.1618		2.1618
H8	2.9086	1.4187	3.1552	3.7884	3.1552	2.1618	2.1618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.389	B1	P2	H7	118.389
B1	P2	H8	118.389	P2	B1	H3	103.665
P2	B1	H4	103.665	P2	B1	H5	103.665
H3	B1	H4	114.600	H3	B1	H5	114.600
H4	B1	H5	114.600	H6	P2	H7	99.260
H6	P2	H8	99.260	H7	P2	H8	99.260

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

using model chemistry: BLYP/cc-pVTZ

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	-0.346
2	P	0.218
3	H	-0.000
4	H	-0.000
5	H	-0.000
6	H	0.043
7	H	0.043
8	H	0.043

<r²>	51.775
(<r²>)^1/2	7.195

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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