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	hartrees
Energy at 0K	-368.707975
Energy at 298.15K
HF Energy	-368.707975
Nuclear repulsion energy	59.967029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2421	2396	16.02
2	A₁	2391	2367	38.03
3	A₁	1026	1016	1.50
4	A₁	962	952	131.81
5	A₁	621	615	15.65
6	A₂	255	252	0.00
7	E	2515	2490	58.47
7	E	2515	2490	58.47
8	E	2402	2378	8.72
8	E	2402	2378	8.72
9	E	1083	1072	3.02
9	E	1083	1072	3.02
10	E	1068	1057	0.59
10	E	1068	1057	0.60
11	E	790	782	5.93
11	E	790	782	5.93
12	E	365	361	0.23
12	E	365	361	0.23

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.340
P2	0.000	0.000	0.532
H3	0.000	-1.174	-1.637
H4	-1.017	0.587	-1.637
H5	1.017	0.587	-1.637
H6	0.000	1.245	1.210
H7	-1.078	-0.623	1.210
H8	1.078	-0.623	1.210

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.8720	1.2112	1.2112	1.2112	2.8382	2.8382	2.8382
P2	1.8720		2.4662	2.4662	2.4662	1.4181	1.4181	1.4181
H3	1.2112	2.4662		2.0340	2.0340	3.7364	3.0941	3.0941
H4	1.2112	2.4662	2.0340		2.0340	3.0941	3.0941	3.7364
H5	1.2112	2.4662	2.0340	2.0340		3.0941	3.7364	3.0941
H6	2.8382	1.4181	3.7364	3.0941	3.0941		2.1568	2.1568
H7	2.8382	1.4181	3.0941	3.0941	3.7364	2.1568		2.1568
H8	2.8382	1.4181	3.0941	3.7364	3.0941	2.1568	2.1568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.584	B1	P2	H7	118.584
B1	P2	H8	118.584	P2	B1	H3	104.179
P2	B1	H4	104.179	P2	B1	H5	104.179
H3	B1	H4	114.205	H3	B1	H5	114.205
H4	B1	H5	114.205	H6	P2	H7	99.011
H6	P2	H8	99.011	H7	P2	H8	99.011

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

using model chemistry: LSDA/cc-pV(T+d)Z

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	-0.561
2	P	0.130
3	H	0.064
4	H	0.064
5	H	0.064
6	H	0.080
7	H	0.080
8	H	0.080

	x	y	z	Total
	0.000	0.000	3.763	3.763
CHELPG
AIM
ESP

<r²>	49.717
(<r²>)^1/2	7.051

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

using model chemistry: LSDA/cc-pV(T+d)Z

States and conformations

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