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	hartrees
Energy at 0K	-369.731343
Energy at 298.15K	-369.737715
HF Energy	-369.731343
Nuclear repulsion energy	58.133338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2399	2403	33.61
2	A₁	2350	2354	67.93
3	A₁	1056	1058	3.99
4	A₁	985	987	213.97
5	A₁	487	488	0.38
6	A₂	231	231	0.00
7	E	2481	2485	120.85
7	E	2481	2485	120.84
8	E	2364	2368	22.38
8	E	2364	2368	22.39
9	E	1105	1107	5.88
9	E	1105	1107	5.88
10	E	1082	1084	2.92
10	E	1082	1084	2.92
11	E	806	807	3.26
11	E	806	807	3.26
12	E	364	365	0.01
12	E	364	365	0.01

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.414
P2	0.000	0.000	0.560
H3	0.000	-1.193	-1.692
H4	-1.033	0.596	-1.692
H5	1.033	0.596	-1.692
H6	0.000	1.259	1.248
H7	-1.090	-0.629	1.248
H8	1.090	-0.629	1.248

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9744	1.2244	1.2244	1.2244	2.9451	2.9451	2.9451
P2	1.9744		2.5483	2.5483	2.5483	1.4344	1.4344	1.4344
H3	1.2244	2.5483		2.0656	2.0656	3.8279	3.1859	3.1859
H4	1.2244	2.5483	2.0656		2.0656	3.1859	3.1859	3.8279
H5	1.2244	2.5483	2.0656	2.0656		3.1859	3.8279	3.1859
H6	2.9451	1.4344	3.8279	3.1859	3.1859		2.1799	2.1799
H7	2.9451	1.4344	3.1859	3.1859	3.8279	2.1799		2.1799
H8	2.9451	1.4344	3.1859	3.8279	3.1859	2.1799	2.1799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.670	B1	P2	H7	118.670
B1	P2	H8	118.670	P2	B1	H3	103.105
P2	B1	H4	103.105	P2	B1	H5	103.105
H3	B1	H4	115.017	H3	B1	H5	115.017
H4	B1	H5	115.017	H6	P2	H7	98.901
H6	P2	H8	98.901	H7	P2	H8	98.901

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

using model chemistry: BLYP/cc-pVDZ

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	-0.192
2	P	0.280
3	H	-0.053
4	H	-0.053
5	H	-0.053
6	H	0.023
7	H	0.023
8	H	0.023

<r²>	52.295
(<r²>)^1/2	7.232

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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