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	hartrees
Energy at 0K	-369.847015
Energy at 298.15K	-369.853528
HF Energy	-369.847015
Nuclear repulsion energy	59.197095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2461	2384	12.15
2	A₁	2457	2380	64.06
3	A₁	1103	1068	14.78
4	A₁	1029	997	202.38
5	A₁	518	502	2.08
6	A₂	236	229	0.00
7	E	2529	2450	123.75
7	E	2529	2450	123.74
8	E	2467	2390	7.46
8	E	2467	2390	7.46
9	E	1159	1123	7.25
9	E	1159	1123	7.25
10	E	1134	1098	2.77
10	E	1134	1098	2.77
11	E	840	814	4.21
11	E	840	814	4.21
12	E	388	376	0.29
12	E	388	376	0.29

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.385
P2	0.000	0.000	0.553
H3	0.000	-1.169	-1.671
H4	-1.012	0.584	-1.671
H5	1.012	0.584	-1.671
H6	0.000	1.241	1.214
H7	-1.075	-0.621	1.214
H8	1.075	-0.621	1.214

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9385	1.2033	1.2033	1.2033	2.8802	2.8802	2.8802
P2	1.9385		2.5129	2.5129	2.5129	1.4062	1.4062	1.4062
H3	1.2033	2.5129		2.0244	2.0244	3.7592	3.1271	3.1271
H4	1.2033	2.5129	2.0244		2.0244	3.1271	3.1271	3.7592
H5	1.2033	2.5129	2.0244	2.0244		3.1271	3.7592	3.1271
H6	2.8802	1.4062	3.7592	3.1271	3.1271		2.1503	2.1503
H7	2.8802	1.4062	3.1271	3.1271	3.7592	2.1503		2.1503
H8	2.8802	1.4062	3.1271	3.7592	3.1271	2.1503	2.1503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.008	B1	P2	H7	118.008
B1	P2	H8	118.008	P2	B1	H3	103.751
P2	B1	H4	103.751	P2	B1	H5	103.751
H3	B1	H4	114.535	H3	B1	H5	114.535
H4	B1	H5	114.535	H6	P2	H7	99.742
H6	P2	H8	99.742	H7	P2	H8	99.742

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

using model chemistry: B3LYP/cc-pVQZ

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	-0.096
2	P	0.331
3	H	-0.117
4	H	-0.117
5	H	-0.117
6	H	0.039
7	H	0.039
8	H	0.039

<r²>	51.150
(<r²>)^1/2	7.152

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

using model chemistry: B3LYP/cc-pVQZ

States and conformations

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