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	hartrees
Energy at 0K	-369.621119
Energy at 298.15K	-369.627601
HF Energy	-369.621119
Nuclear repulsion energy	58.885143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2464	2370	22.98
2	A₁	2459	2365	60.69
3	A₁	1075	1034	3.69
4	A₁	1000	962	187.80
5	A₁	554	533	3.13
6	A₂	243	234	0.00
7	E	2556	2458	118.06
7	E	2556	2458	118.09
8	E	2479	2384	10.67
8	E	2479	2384	10.68
9	E	1127	1084	6.08
9	E	1127	1084	6.08
10	E	1112	1070	1.45
10	E	1112	1070	1.45
11	E	823	792	3.09
11	E	823	792	3.09
12	E	372	358	0.03
12	E	372	358	0.03

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.385
P2	0.000	0.000	0.551
H3	0.000	-1.186	-1.668
H4	-1.028	0.593	-1.668
H5	1.028	0.593	-1.668
H6	0.000	1.253	1.223
H7	-1.086	-0.627	1.223
H8	1.086	-0.627	1.223

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9364	1.2198	1.2198	1.2198	2.8943	2.8943	2.8943
P2	1.9364		2.5166	2.5166	2.5166	1.4224	1.4224	1.4224
H3	1.2198	2.5166		2.0550	2.0550	3.7836	3.1391	3.1391
H4	1.2198	2.5166	2.0550		2.0550	3.1391	3.1391	3.7836
H5	1.2198	2.5166	2.0550	2.0550		3.1391	3.7836	3.1391
H6	2.8943	1.4224	3.7836	3.1391	3.1391		2.1710	2.1710
H7	2.8943	1.4224	3.1391	3.1391	3.7836	2.1710		2.1710
H8	2.8943	1.4224	3.1391	3.7836	3.1391	2.1710	2.1710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.211	B1	P2	H7	118.211
B1	P2	H8	118.211	P2	B1	H3	103.416
P2	B1	H4	103.416	P2	B1	H5	103.416
H3	B1	H4	114.787	H3	B1	H5	114.787
H4	B1	H5	114.787	H6	P2	H7	99.486
H6	P2	H8	99.486	H7	P2	H8	99.486

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

using model chemistry: HSEh1PBE/cc-pVDZ

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	-0.295
2	P	0.201
3	H	-0.026
4	H	-0.026
5	H	-0.026
6	H	0.058
7	H	0.058
8	H	0.058

<r²>	51.153
(<r²>)^1/2	7.152

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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