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	hartrees
Energy at 0K	-365.613086
Energy at 298.15K	-365.619537
HF Energy	-365.613086
Nuclear repulsion energy	59.331903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2933	2933	7.56
2	A₁	2901	2901	0.93
3	A₁	1361	1361	90.62
4	A₁	1181	1181	193.92
5	A₁	579	579	2.75
6	A₂	157	157	0.00
7	E	3112	3112	20.23
7	E	3112	3112	20.35
8	E	2949	2949	0.14
8	E	2949	2949	0.18
9	E	1445	1445	6.12
9	E	1445	1445	5.96
10	E	1321	1321	18.77
10	E	1321	1321	18.71
11	E	1019	1019	0.17
11	E	1019	1019	0.18
12	E	424	424	0.52
12	E	424	424	0.53

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.407
P2	0.000	0.000	0.562
H3	0.000	-1.130	-1.684
H4	-0.979	0.565	-1.684
H5	0.979	0.565	-1.684
H6	0.000	1.224	1.220
H7	-1.060	-0.612	1.220
H8	1.060	-0.612	1.220

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9683	1.1640	1.1640	1.1640	2.8974	2.8974	2.8974
P2	1.9683		2.5142	2.5142	2.5142	1.3893	1.3893	1.3893
H3	1.1640	2.5142		1.9579	1.9579	3.7381	3.1343	3.1343
H4	1.1640	2.5142	1.9579		1.9579	3.1343	3.1343	3.7381
H5	1.1640	2.5142	1.9579	1.9579		3.1343	3.7381	3.1343
H6	2.8974	1.3893	3.7381	3.1343	3.1343		2.1193	2.1193
H7	2.8974	1.3893	3.1343	3.1343	3.7381	2.1193		2.1193
H8	2.8974	1.3893	3.1343	3.7381	3.1343	2.1193	2.1193

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.274	B1	P2	H7	118.274
B1	P2	H8	118.274	P2	B1	H3	103.789
P2	B1	H4	103.789	P2	B1	H5	103.789
H3	B1	H4	114.505	H3	B1	H5	114.505
H4	B1	H5	114.506	H6	P2	H7	99.406
H6	P2	H8	99.406	H7	P2	H8	99.406

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

using model chemistry: M06-2X/STO-3G

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	-0.164
2	P	0.504
3	H	-0.090
4	H	-0.090
5	H	-0.090
6	H	-0.024
7	H	-0.024
8	H	-0.024

	x	y	z
x	2.363	0.000	0.000
y	0.000	2.368	-0.001
z	0.000	-0.001	3.126

<r²>	50.018
(<r²>)^1/2	7.072

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

using model chemistry: M06-2X/STO-3G

States and conformations

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