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	hartrees
Energy at 0K	-369.480345
Energy at 298.15K	-369.486742
HF Energy	-369.432963
Nuclear repulsion energy	57.293182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2509	2509	45.31
2	A₁	2394	2394	53.70
3	A₁	1141	1141	106.76
4	A₁	1014	1014	143.19
5	A₁	417	417	7.02
6	A₂	210	210	0.00
7	E	2596	2596	149.91
7	E	2596	2596	149.94
8	E	2420	2420	43.62
8	E	2420	2420	43.64
9	E	1193	1193	5.79
9	E	1193	1193	5.79
10	E	1131	1131	9.98
10	E	1131	1131	9.98
11	E	878	878	0.25
11	E	878	878	0.25
12	E	384	384	0.13
12	E	384	384	0.13

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.467
P2	0.000	0.000	0.587
H3	0.000	-1.175	-1.739
H4	-1.017	0.587	-1.739
H5	1.017	0.587	-1.739
H6	0.000	1.263	1.250
H7	-1.094	-0.631	1.250
H8	1.094	-0.631	1.250

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.0535	1.2057	1.2057	1.2057	2.9961	2.9961	2.9961
P2	2.0535		2.6053	2.6053	2.6053	1.4266	1.4266	1.4266
H3	1.2057	2.6053		2.0345	2.0345	3.8569	3.2288	3.2288
H4	1.2057	2.6053	2.0345		2.0345	3.2288	3.2288	3.8569
H5	1.2057	2.6053	2.0345	2.0345		3.2288	3.8569	3.2288
H6	2.9961	1.4266	3.8569	3.2288	3.2288		2.1875	2.1875
H7	2.9961	1.4266	3.2288	3.2288	3.8569	2.1875		2.1875
H8	2.9961	1.4266	3.2288	3.8569	3.2288	2.1875	2.1875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.714	B1	P2	H7	117.714
B1	P2	H8	117.714	P2	B1	H3	103.041
P2	B1	H4	103.041	P2	B1	H5	103.041
H3	B1	H4	115.064	H3	B1	H5	115.064
H4	B1	H5	115.064	H6	P2	H7	100.112
H6	P2	H8	100.112	H7	P2	H8	100.112

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

using model chemistry: B2PLYP=FULL/6-31G

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=FULL/6-31G

States and conformations

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