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	hartrees
Energy at 0K	-369.328174
Energy at 298.15K	-369.334798
HF Energy	-368.890282
Nuclear repulsion energy	59.156206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2572	2572	35.17
2	A₁	2496	2496	47.69
3	A₁	1150	1150	12.59
4	A₁	1071	1071	246.13
5	A₁	541	541	0.23
6	A₂	243	243	0.00
7	E	2591	2591	125.34
7	E	2591	2591	125.34
8	E	2571	2571	26.86
8	E	2571	2571	26.86
9	E	1195	1195	13.38
9	E	1195	1195	13.38
10	E	1178	1178	4.27
10	E	1178	1178	4.27
11	E	877	877	2.06
11	E	877	877	2.06
12	E	405	405	3.52
12	E	405	405	3.52

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.389
P2	0.000	0.000	0.558
H3	0.000	-1.171	-1.677
H4	-1.014	0.585	-1.677
H5	1.014	0.585	-1.677
H6	0.000	1.241	1.203
H7	-1.075	-0.620	1.203
H8	1.075	-0.620	1.203

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9465	1.2059	1.2059	1.2059	2.8737	2.8737	2.8737
P2	1.9465		2.5233	2.5233	2.5233	1.3988	1.3988	1.3988
H3	1.2059	2.5233		2.0279	2.0279	3.7570	3.1235	3.1235
H4	1.2059	2.5233	2.0279		2.0279	3.1235	3.1235	3.7570
H5	1.2059	2.5233	2.0279	2.0279		3.1235	3.7570	3.1235
H6	2.8737	1.3988	3.7570	3.1235	3.1235		2.1493	2.1493
H7	2.8737	1.3988	3.1235	3.1235	3.7570	2.1493		2.1493
H8	2.8737	1.3988	3.1235	3.7570	3.1235	2.1493	2.1493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.482	B1	P2	H7	117.482
B1	P2	H8	117.482	P2	B1	H3	103.852
P2	B1	H4	103.852	P2	B1	H5	103.852
H3	B1	H4	114.458	H3	B1	H5	114.458
H4	B1	H5	114.458	H6	P2	H7	100.403
H6	P2	H8	100.403	H7	P2	H8	100.403

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

using model chemistry: MP3=FULL/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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All results from a given calculation for BH3PH3 (borane phosphine)

using model chemistry: MP3=FULL/6-311G**

States and conformations

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