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	hartrees
Energy at 0K	-369.770627
Energy at 298.15K	-369.777075
HF Energy	-369.770627
Nuclear repulsion energy	58.945160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2412	2399	25.71
2	A₁	2384	2370	58.20
3	A₁	1072	1066	8.30
4	A₁	1003	997	202.29
5	A₁	509	506	2.52
6	A₂	234	233	0.00
7	E	2478	2464	113.34
7	E	2478	2464	113.35
8	E	2393	2379	12.72
8	E	2393	2379	12.72
9	E	1129	1123	6.39
9	E	1129	1123	6.39
10	E	1102	1095	2.39
10	E	1102	1095	2.39
11	E	816	812	4.45
11	E	816	812	4.44
12	E	379	377	0.12
12	E	379	377	0.12

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.390
P2	0.000	0.000	0.554
H3	0.000	-1.173	-1.677
H4	-1.016	0.587	-1.677
H5	1.016	0.587	-1.677
H6	0.000	1.245	1.226
H7	-1.079	-0.623	1.226
H8	1.079	-0.623	1.226

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9438	1.2079	1.2079	1.2079	2.8979	2.8979	2.8979
P2	1.9438		2.5204	2.5204	2.5204	1.4155	1.4155	1.4155
H3	1.2079	2.5204		2.0324	2.0324	3.7789	3.1458	3.1458
H4	1.2079	2.5204	2.0324		2.0324	3.1458	3.1458	3.7789
H5	1.2079	2.5204	2.0324	2.0324		3.1458	3.7789	3.1458
H6	2.8979	1.4155	3.7789	3.1458	3.1458		2.1571	2.1571
H7	2.8979	1.4155	3.1458	3.1458	3.7789	2.1571		2.1571
H8	2.8979	1.4155	3.1458	3.7789	3.1458	2.1571	2.1571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.381	B1	P2	H7	118.381
B1	P2	H8	118.381	P2	B1	H3	103.731
P2	B1	H4	103.731	P2	B1	H5	103.731
H3	B1	H4	114.550	H3	B1	H5	114.550
H4	B1	H5	114.550	H6	P2	H7	99.270
H6	P2	H8	99.270	H7	P2	H8	99.270

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

using model chemistry: BLYP/6-311+G(3df,2p)

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	-0.614
2	P	0.291
3	H	0.053
4	H	0.053
5	H	0.053
6	H	0.054
7	H	0.054
8	H	0.054

	x	y	z	Total
	0.000	0.000	3.807	3.807
CHELPG
AIM
ESP

<r²>	51.560
(<r²>)^1/2	7.181

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

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

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