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	hartrees
Energy at 0K	-369.767735
Energy at 298.15K	-369.774158
HF Energy	-369.767735
Nuclear repulsion energy	58.607993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2428	2386	67.47
2	A₁	2395	2353	51.86
3	A₁	1074	1055	0.43
4	A₁	1009	991	231.08
5	A₁	492	484	1.09
6	A₂	237	233	0.00
7	E	2479	2436	175.39
7	E	2479	2436	175.40
8	E	2437	2395	6.04
8	E	2437	2395	6.04
9	E	1127	1108	8.37
9	E	1127	1108	8.38
10	E	1108	1089	1.77
10	E	1108	1089	1.77
11	E	825	811	1.53
11	E	825	811	1.53
12	E	374	367	0.27
12	E	374	367	0.27

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.403
P2	0.000	0.000	0.559
H3	0.000	-1.184	-1.685
H4	-1.025	0.592	-1.685
H5	1.025	0.592	-1.685
H6	0.000	1.247	1.230
H7	-1.080	-0.624	1.230
H8	1.080	-0.624	1.230

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9617	1.2168	1.2168	1.2168	2.9140	2.9140	2.9140
P2	1.9617		2.5366	2.5366	2.5366	1.4167	1.4167	1.4167
H3	1.2168	2.5366		2.0502	2.0502	3.7959	3.1591	3.1591
H4	1.2168	2.5366	2.0502		2.0502	3.1591	3.1591	3.7959
H5	1.2168	2.5366	2.0502	2.0502		3.1591	3.7959	3.1591
H6	2.9140	1.4167	3.7959	3.1591	3.1591		2.1603	2.1603
H7	2.9140	1.4167	3.1591	3.1591	3.7959	2.1603		2.1603
H8	2.9140	1.4167	3.1591	3.7959	3.1591	2.1603	2.1603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.310	B1	P2	H7	118.310
B1	P2	H8	118.310	P2	B1	H3	103.393
P2	B1	H4	103.393	P2	B1	H5	103.393
H3	B1	H4	114.804	H3	B1	H5	114.804
H4	B1	H5	114.804	H6	P2	H7	99.360
H6	P2	H8	99.360	H7	P2	H8	99.360

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

using model chemistry: B97D3/6-31+G**

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	-0.314
2	P	0.313
3	H	-0.026
4	H	-0.026
5	H	-0.026
6	H	0.026
7	H	0.026
8	H	0.026

<r²>	51.957
(<r²>)^1/2	7.208

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

using model chemistry: B97D3/6-31+G**

States and conformations

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