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	hartrees
Energy at 0K	-369.194322
Energy at 298.15K	-369.200851
HF Energy	-368.872598
Nuclear repulsion energy	58.968403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2541	2407	14.01
2	A₁	2527	2394	46.38
3	A₁	1141	1080	37.20
4	A₁	1055	999	192.95
5	A₁	510	483	0.23
6	A₂	236	224	0.00
7	E	2621	2482	99.51
7	E	2621	2482	99.51
8	E	2552	2418	10.23
8	E	2552	2418	10.23
9	E	1196	1133	7.09
9	E	1196	1133	7.09
10	E	1168	1106	5.89
10	E	1168	1106	5.89
11	E	866	820	3.93
11	E	866	820	3.93
12	E	383	363	0.39
12	E	383	363	0.39

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.400
P2	0.000	0.000	0.559
H3	0.000	-1.171	-1.678
H4	-1.014	0.586	-1.678
H5	1.014	0.586	-1.678
H6	0.000	1.240	1.214
H7	-1.074	-0.620	1.214
H8	1.074	-0.620	1.214

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9593	1.2039	1.2039	1.2039	2.8926	2.8926	2.8926
P2	1.9593		2.5252	2.5252	2.5252	1.4018	1.4018	1.4018
H3	1.2039	2.5252		2.0290	2.0290	3.7646	3.1329	3.1329
H4	1.2039	2.5252	2.0290		2.0290	3.1329	3.1329	3.7646
H5	1.2039	2.5252	2.0290	2.0290		3.1329	3.7646	3.1329
H6	2.8926	1.4018	3.7646	3.1329	3.1329		2.1474	2.1474
H7	2.8926	1.4018	3.1329	3.1329	3.7646	2.1474		2.1474
H8	2.8926	1.4018	3.1329	3.7646	3.1329	2.1474	2.1474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.815	B1	P2	H7	117.815
B1	P2	H8	117.815	P2	B1	H3	103.334
P2	B1	H4	103.334	P2	B1	H5	103.334
H3	B1	H4	114.848	H3	B1	H5	114.848
H4	B1	H5	114.848	H6	P2	H7	99.986
H6	P2	H8	99.986	H7	P2	H8	99.986

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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