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	hartrees
Energy at 0K	-369.761542
Energy at 298.15K	-369.768066
HF Energy	-369.761542
Nuclear repulsion energy	59.047787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2462	2374	24.40
2	A₁	2457	2370	54.29
3	A₁	1088	1049	4.83
4	A₁	1015	979	198.93
5	A₁	536	517	3.48
6	A₂	244	235	0.00
7	E	2543	2452	122.18
7	E	2543	2452	122.19
8	E	2473	2385	11.41
8	E	2473	2385	11.42
9	E	1144	1103	5.50
9	E	1144	1103	5.50
10	E	1127	1086	2.79
10	E	1127	1086	2.79
11	E	836	806	2.63
11	E	836	806	2.63
12	E	387	373	0.22
12	E	387	373	0.22

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.385
P2	0.000	0.000	0.552
H3	0.000	-1.174	-1.672
H4	-1.016	0.587	-1.672
H5	1.016	0.587	-1.672
H6	0.000	1.248	1.220
H7	-1.080	-0.624	1.220
H8	1.080	-0.624	1.220

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9376	1.2082	1.2082	1.2082	2.8884	2.8884	2.8884
P2	1.9376		2.5151	2.5151	2.5151	1.4149	1.4149	1.4149
H3	1.2082	2.5151		2.0328	2.0328	3.7716	3.1357	3.1357
H4	1.2082	2.5151	2.0328		2.0328	3.1357	3.1357	3.7716
H5	1.2082	2.5151	2.0328	2.0328		3.1357	3.7716	3.1357
H6	2.8884	1.4149	3.7716	3.1357	3.1357		2.1610	2.1610
H7	2.8884	1.4149	3.1357	3.1357	3.7716	2.1610		2.1610
H8	2.8884	1.4149	3.1357	3.7716	3.1357	2.1610	2.1610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.143	B1	P2	H7	118.143
B1	P2	H8	118.143	P2	B1	H3	103.733
P2	B1	H4	103.733	P2	B1	H5	103.733
H3	B1	H4	114.549	H3	B1	H5	114.549
H4	B1	H5	114.549	H6	P2	H7	99.572
H6	P2	H8	99.572	H7	P2	H8	99.572

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

using model chemistry: B3PW91/TZVP

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	-0.325
2	P	0.218
3	H	-0.016
4	H	-0.016
5	H	-0.016
6	H	0.052
7	H	0.052
8	H	0.052

<r²>	51.176
(<r²>)^1/2	7.154

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

using model chemistry: B3PW91/TZVP

States and conformations

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