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	hartrees
Energy at 0K	-369.600864
Energy at 298.15K	-369.607386
HF Energy	-369.600864
Nuclear repulsion energy	59.109898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2519	2395	49.34
2	A₁	2488	2366	36.84
3	A₁	1106	1052	0.04
4	A₁	1039	989	198.15
5	A₁	547	520	2.83
6	A₂	250	238	0.00
7	E	2576	2450	132.91
7	E	2576	2450	132.95
8	E	2528	2404	15.58
8	E	2528	2404	15.59
9	E	1158	1101	10.93
9	E	1158	1101	10.93
10	E	1142	1086	0.67
10	E	1142	1086	0.67
11	E	850	808	3.32
11	E	850	808	3.32
12	E	383	364	0.27
12	E	383	364	0.27

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.384
P2	0.000	0.000	0.552
H3	0.000	-1.176	-1.673
H4	-1.019	0.588	-1.673
H5	1.019	0.588	-1.673
H6	0.000	1.241	1.221
H7	-1.075	-0.620	1.221
H8	1.075	-0.620	1.221

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9354	1.2113	1.2113	1.2113	2.8857	2.8857	2.8857
P2	1.9354		2.5164	2.5164	2.5164	1.4102	1.4102	1.4102
H3	1.2113	2.5164		2.0374	2.0374	3.7711	3.1372	3.1372
H4	1.2113	2.5164	2.0374		2.0374	3.1372	3.1372	3.7711
H5	1.2113	2.5164	2.0374	2.0374		3.1372	3.7711	3.1372
H6	2.8857	1.4102	3.7711	3.1372	3.1372		2.1494	2.1494
H7	2.8857	1.4102	3.1372	3.1372	3.7711	2.1494		2.1494
H8	2.8857	1.4102	3.1372	3.7711	3.1372	2.1494	2.1494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.363	B1	P2	H7	118.363
B1	P2	H8	118.363	P2	B1	H3	103.812
P2	B1	H4	103.812	P2	B1	H5	103.812
H3	B1	H4	114.488	H3	B1	H5	114.488
H4	B1	H5	114.488	H6	P2	H7	99.293
H6	P2	H8	99.293	H7	P2	H8	99.293

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

using model chemistry: HSEh1PBE/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	-0.282
2	P	0.133
3	H	-0.014
4	H	-0.014
5	H	-0.014
6	H	0.064
7	H	0.064
8	H	0.064

<r²>	50.932
(<r²>)^1/2	7.137

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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