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	hartrees
Energy at 0K	-369.752989
Energy at 298.15K	-369.759528
HF Energy	-369.752989
Nuclear repulsion energy	59.161002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2464	2372	48.33
2	A₁	2441	2350	43.38
3	A₁	1099	1058	0.34
4	A₁	1028	990	212.83
5	A₁	544	524	3.05
6	A₂	242	233	0.00
7	E	2524	2430	133.57
7	E	2524	2430	133.58
8	E	2470	2378	9.52
8	E	2470	2378	9.53
9	E	1155	1112	10.21
9	E	1155	1112	10.21
10	E	1131	1089	0.01
10	E	1131	1089	0.01
11	E	847	816	3.25
11	E	847	816	3.25
12	E	393	378	0.63
12	E	393	378	0.63

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.380
P2	0.000	0.000	0.551
H3	0.000	-1.174	-1.673
H4	-1.017	0.587	-1.673
H5	1.017	0.587	-1.673
H6	0.000	1.244	1.219
H7	-1.077	-0.622	1.219
H8	1.077	-0.622	1.219

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9308	1.2100	1.2100	1.2100	2.8809	2.8809	2.8809
P2	1.9308		2.5144	2.5144	2.5144	1.4118	1.4118	1.4118
H3	1.2100	2.5144		2.0335	2.0335	3.7690	3.1344	3.1344
H4	1.2100	2.5144	2.0335		2.0335	3.1344	3.1344	3.7690
H5	1.2100	2.5144	2.0335	2.0335		3.1344	3.7690	3.1344
H6	2.8809	1.4118	3.7690	3.1344	3.1344		2.1544	2.1544
H7	2.8809	1.4118	3.1344	3.1344	3.7690	2.1544		2.1544
H8	2.8809	1.4118	3.1344	3.7690	3.1344	2.1544	2.1544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.232	B1	P2	H7	118.232
B1	P2	H8	118.232	P2	B1	H3	103.997
P2	B1	H4	103.997	P2	B1	H5	103.997
H3	B1	H4	114.346	H3	B1	H5	114.346
H4	B1	H5	114.346	H6	P2	H7	99.460
H6	P2	H8	99.460	H7	P2	H8	99.460

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

using model chemistry: B3PW91/6-311G*

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	-0.596
2	P	0.128
3	H	0.055
4	H	0.055
5	H	0.055
6	H	0.101
7	H	0.101
8	H	0.101

	x	y	z	Total
	0.000	0.000	4.267	4.267
CHELPG
AIM
ESP

<r²>	51.206
(<r²>)^1/2	7.156

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

using model chemistry: B3PW91/6-311G*

States and conformations

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