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	hartrees
Energy at 0K	-369.808922
Energy at 298.15K	-369.815364
HF Energy	-369.808922
Nuclear repulsion energy	58.919193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2408	2374	52.40
2	A₁	2387	2354	36.30
3	A₁	1070	1055	6.75
4	A₁	1000	986	202.79
5	A₁	508	501	2.26
6	A₂	231	228	0.00
7	E	2469	2434	129.20
7	E	2469	2434	129.21
8	E	2417	2383	6.53
8	E	2417	2383	6.53
9	E	1127	1111	7.16
9	E	1127	1111	7.15
10	E	1103	1088	1.85
10	E	1103	1088	1.85
11	E	817	805	3.41
11	E	817	805	3.40
12	E	376	371	0.04
12	E	376	371	0.04

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.391
P2	0.000	0.000	0.554
H3	0.000	-1.179	-1.674
H4	-1.021	0.589	-1.674
H5	1.021	0.589	-1.674
H6	0.000	1.247	1.223
H7	-1.080	-0.623	1.223
H8	1.080	-0.623	1.223

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9443	1.2125	1.2125	1.2125	2.8960	2.8960	2.8960
P2	1.9443		2.5205	2.5205	2.5205	1.4151	1.4151	1.4151
H3	1.2125	2.5205		2.0420	2.0420	3.7786	3.1415	3.1415
H4	1.2125	2.5205	2.0420		2.0420	3.1415	3.1415	3.7786
H5	1.2125	2.5205	2.0420	2.0420		3.1415	3.7786	3.1415
H6	2.8960	1.4151	3.7786	3.1415	3.1415		2.1592	2.1592
H7	2.8960	1.4151	3.1415	3.1415	3.7786	2.1592		2.1592
H8	2.8960	1.4151	3.1415	3.7786	3.1415	2.1592	2.1592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.242	B1	P2	H7	118.242
B1	P2	H8	118.242	P2	B1	H3	103.518
P2	B1	H4	103.518	P2	B1	H5	103.518
H3	B1	H4	114.711	H3	B1	H5	114.711
H4	B1	H5	114.711	H6	P2	H7	99.447
H6	P2	H8	99.447	H7	P2	H8	99.447

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

using model chemistry: B97D3/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	-0.368
2	P	0.253
3	H	-0.001
4	H	-0.001
5	H	-0.001
6	H	0.040
7	H	0.040
8	H	0.040

<r²>	51.344
(<r²>)^1/2	7.165

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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