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	hartrees
Energy at 0K	-369.665684
Energy at 298.15K
HF Energy	-369.541559
Nuclear repulsion energy	59.307710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2498	2498	29.84
2	A₁	2481	2481	42.59
3	A₁	1114	1114	26.78
4	A₁	1032	1032	193.98
5	A₁	530	530	1.76
6	A₂	241	241	0.00
7	E	2560	2560	131.30
7	E	2560	2560	131.36
8	E	2509	2509	4.15
8	E	2509	2509	4.08
9	E	1174	1174	7.23
9	E	1174	1174	7.24
10	E	1148	1148	3.62
10	E	1147	1147	3.62
11	E	848	848	3.84
11	E	848	848	3.84
12	E	384	384	0.44
12	E	384	384	0.44

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.383
P2	0.000	0.000	0.553
H3	0.000	-1.168	-1.665
H4	-1.011	0.584	-1.665
H5	1.011	0.584	-1.665
H6	0.000	1.240	1.208
H7	-1.074	-0.620	1.208
H8	1.074	-0.620	1.208

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9361	1.2014	1.2014	1.2014	2.8733	2.8733	2.8733
P2	1.9361		2.5067	2.5067	2.5067	1.4030	1.4030	1.4030
H3	1.2014	2.5067		2.0228	2.0228	3.7494	3.1164	3.1164
H4	1.2014	2.5067	2.0228		2.0228	3.1164	3.1164	3.7494
H5	1.2014	2.5067	2.0228	2.0228		3.1164	3.7494	3.1164
H6	2.8733	1.4030	3.7494	3.1164	3.1164		2.1483	2.1483
H7	2.8733	1.4030	3.1164	3.1164	3.7494	2.1483		2.1483
H8	2.8733	1.4030	3.1164	3.7494	3.1164	2.1483	2.1483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.864	B1	P2	H7	117.864
B1	P2	H8	117.864	P2	B1	H3	103.571
P2	B1	H4	103.571	P2	B1	H5	103.571
H3	B1	H4	114.671	H3	B1	H5	114.671
H4	B1	H5	114.671	H6	P2	H7	99.924
H6	P2	H8	99.924	H7	P2	H8	99.924

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

using model chemistry: B2PLYP=FULLultrafine/daug-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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All results from a given calculation for BH3PH3 (borane phosphine)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVTZ

States and conformations

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