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	hartrees
Energy at 0K	-369.587897
Energy at 298.15K	-369.594473
HF Energy	-369.515878
Nuclear repulsion energy	59.058347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2495	2495	40.08
2	A₁	2464	2464	50.13
3	A₁	1126	1126	2.42
4	A₁	1054	1054	237.90
5	A₁	525	525	0.54
6	A₂	241	241	0.00
7	E	2543	2543	149.93
7	E	2543	2543	149.96
8	E	2502	2502	5.97
8	E	2502	2502	5.99
9	E	1177	1177	13.48
9	E	1177	1177	13.48
10	E	1157	1157	0.03
10	E	1157	1157	0.03
11	E	870	870	2.86
11	E	870	870	2.86
12	E	404	404	1.81
12	E	404	404	1.81

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.389
P2	0.000	0.000	0.557
H3	0.000	-1.170	-1.681
H4	-1.014	0.585	-1.681
H5	1.014	0.585	-1.681
H6	0.000	1.243	1.213
H7	-1.076	-0.621	1.213
H8	1.076	-0.621	1.213

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9458	1.2063	1.2063	1.2063	2.8836	2.8836	2.8836
P2	1.9458		2.5253	2.5253	2.5253	1.4053	1.4053	1.4053
H3	1.2063	2.5253		2.0273	2.0273	3.7681	3.1361	3.1361
H4	1.2063	2.5253	2.0273		2.0273	3.1361	3.1361	3.7681
H5	1.2063	2.5253	2.0273	2.0273		3.1361	3.7681	3.1361
H6	2.8836	1.4053	3.7681	3.1361	3.1361		2.1524	2.1524
H7	2.8836	1.4053	3.1361	3.1361	3.7681	2.1524		2.1524
H8	2.8836	1.4053	3.1361	3.7681	3.1361	2.1524	2.1524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.839	B1	P2	H7	117.839
B1	P2	H8	117.839	P2	B1	H3	104.005
P2	B1	H4	104.005	P2	B1	H5	104.005
H3	B1	H4	114.340	H3	B1	H5	114.340
H4	B1	H5	114.340	H6	P2	H7	99.955
H6	P2	H8	99.955	H7	P2	H8	99.955

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

using model chemistry: B2PLYP/6-311G*

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	-0.542
2	P	0.197
3	H	0.034
4	H	0.034
5	H	0.034
6	H	0.081
7	H	0.081
8	H	0.081

	x	y	z	Total
	0.000	0.000	4.396	4.396
CHELPG
AIM
ESP

<r²>	51.717
(<r²>)^1/2	7.191

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

using model chemistry: B2PLYP/6-311G*

States and conformations

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