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	hartrees
Energy at 0K	-369.711157
Energy at 298.15K	-369.717636
HF Energy	-369.711157
Nuclear repulsion energy	58.909308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2531	2406	28.97
2	A₁	2493	2369	40.51
3	A₁	1113	1058	9.51
4	A₁	1039	987	218.28
5	A₁	498	473	0.03
6	A₂	251	238	0.00
7	E	2620	2490	108.98
7	E	2620	2490	109.45
8	E	2506	2382	25.22
8	E	2506	2382	25.96
9	E	1172	1114	7.62
9	E	1172	1114	7.59
10	E	1153	1096	6.20
10	E	1153	1096	6.22
11	E	850	808	2.29
11	E	850	808	2.22
12	E	370	352	0.53
12	E	370	351	0.53

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.402
P2	0.000	0.000	0.558
H3	0.000	-1.173	-1.675
H4	-1.016	0.587	-1.675
H5	1.016	0.587	-1.675
H6	0.000	1.238	1.223
H7	-1.072	-0.619	1.223
H8	1.072	-0.619	1.223

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9605	1.2044	1.2044	1.2044	2.9027	2.9027	2.9027
P2	1.9605		2.5225	2.5225	2.5225	1.4053	1.4053	1.4053
H3	1.2044	2.5225		2.0319	2.0319	3.7700	3.1394	3.1394
H4	1.2044	2.5225	2.0319		2.0319	3.1394	3.1394	3.7700
H5	1.2044	2.5225	2.0319	2.0319		3.1394	3.7700	3.1394
H6	2.9027	1.4053	3.7700	3.1394	3.1394		2.1443	2.1443
H7	2.9027	1.4053	3.1394	3.1394	3.7700	2.1443		2.1443
H8	2.9027	1.4053	3.1394	3.7700	3.1394	2.1443	2.1443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.242	B1	P2	H7	118.242
B1	P2	H8	118.242	P2	B1	H3	103.087
P2	B1	H4	103.087	P2	B1	H5	103.087
H3	B1	H4	115.030	H3	B1	H5	115.030
H4	B1	H5	115.030	H6	P2	H7	99.447
H6	P2	H8	99.447	H7	P2	H8	99.447

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	B	-0.133
2	P	0.251
3	H	-0.060
4	H	-0.060
5	H	-0.060
6	H	0.020
7	H	0.020
8	H	0.020

	x	y	z
x	5.090	0.000	0.000
y	0.000	5.087	-0.007
z	0.000	-0.007	7.080

<r²>	51.330
(<r²>)^1/2	7.165

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

using model chemistry: M06-2X/6-31G**

States and conformations

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