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	hartrees
Energy at 0K	-369.536440
Energy at 298.15K	-369.542902
HF Energy	-369.536440
Nuclear repulsion energy	58.883264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2436	2402	20.27
2	A₁	2420	2385	70.12
3	A₁	1069	1053	2.86
4	A₁	1006	991	171.99
5	A₁	550	542	5.01
6	A₂	254	250	0.00
7	E	2522	2486	103.70
7	E	2522	2486	103.71
8	E	2432	2397	32.42
8	E	2432	2397	32.44
9	E	1120	1104	7.90
9	E	1120	1104	7.90
10	E	1102	1086	0.86
10	E	1102	1086	0.86
11	E	821	809	3.71
11	E	821	809	3.71
12	E	374	369	0.01
12	E	374	369	0.01

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.385
P2	0.000	0.000	0.549
H3	0.000	-1.183	-1.675
H4	-1.024	0.591	-1.675
H5	1.024	0.591	-1.675
H6	0.000	1.248	1.236
H7	-1.080	-0.624	1.236
H8	1.080	-0.624	1.236

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9341	1.2181	1.2181	1.2181	2.9020	2.9020	2.9020
P2	1.9341		2.5195	2.5195	2.5195	1.4238	1.4238	1.4238
H3	1.2181	2.5195		2.0490	2.0490	3.7920	3.1547	3.1547
H4	1.2181	2.5195	2.0490		2.0490	3.1547	3.1547	3.7920
H5	1.2181	2.5195	2.0490	2.0490		3.1547	3.7920	3.1547
H6	2.9020	1.4238	3.7920	3.1547	3.1547		2.1608	2.1608
H7	2.9020	1.4238	3.1547	3.1547	3.7920	2.1608		2.1608
H8	2.9020	1.4238	3.1547	3.7920	3.1547	2.1608	2.1608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.809	B1	P2	H7	118.809
B1	P2	H8	118.809	P2	B1	H3	103.796
P2	B1	H4	103.796	P2	B1	H5	103.796
H3	B1	H4	114.500	H3	B1	H5	114.500
H4	B1	H5	114.500	H6	P2	H7	98.724
H6	P2	H8	98.724	H7	P2	H8	98.724

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

using model chemistry: PBEPBE/6-31G*

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	-0.273
2	P	0.066
3	H	-0.005
4	H	-0.005
5	H	-0.005
6	H	0.074
7	H	0.074
8	H	0.074

<r²>	51.058
(<r²>)^1/2	7.145

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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