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	hartrees
Energy at 0K	-369.677143
Energy at 298.15K	-369.683599
HF Energy	-369.677143
Nuclear repulsion energy	57.781559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2483	2378	38.34
2	A₁	2384	2283	72.18
3	A₁	1112	1065	67.79
4	A₁	999	957	129.40
5	A₁	472	452	0.82
6	A₂	215	206	0.00
7	E	2575	2466	141.03
7	E	2575	2466	141.02
8	E	2413	2311	41.51
8	E	2413	2311	41.52
9	E	1164	1114	2.93
9	E	1164	1114	2.93
10	E	1123	1076	7.84
10	E	1123	1076	7.84
11	E	863	826	0.46
11	E	863	826	0.46
12	E	397	380	0.00
12	E	397	380	0.00

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.436
P2	0.000	0.000	0.575
H3	0.000	-1.174	-1.724
H4	-1.017	0.587	-1.724
H5	1.017	0.587	-1.724
H6	0.000	1.264	1.241
H7	-1.095	-0.632	1.241
H8	1.095	-0.632	1.241

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.0114	1.2090	1.2090	1.2090	2.9602	2.9602	2.9602
P2	2.0114		2.5818	2.5818	2.5818	1.4285	1.4285	1.4285
H3	1.2090	2.5818		2.0338	2.0338	3.8385	3.2065	3.2065
H4	1.2090	2.5818	2.0338		2.0338	3.2065	3.2065	3.8385
H5	1.2090	2.5818	2.0338	2.0338		3.2065	3.8385	3.2065
H6	2.9602	1.4285	3.8385	3.2065	3.2065		2.1894	2.1894
H7	2.9602	1.4285	3.2065	3.2065	3.8385	2.1894		2.1894
H8	2.9602	1.4285	3.2065	3.8385	3.2065	2.1894	2.1894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.760	B1	P2	H7	117.760
B1	P2	H8	117.760	P2	B1	H3	103.777
P2	B1	H4	103.777	P2	B1	H5	103.777
H3	B1	H4	114.515	H3	B1	H5	114.515
H4	B1	H5	114.515	H6	P2	H7	100.055
H6	P2	H8	100.055	H7	P2	H8	100.055

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

using model chemistry: B3PW91/6-31G

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	-0.201
2	P	0.202
3	H	-0.035
4	H	-0.035
5	H	-0.035
6	H	0.035
7	H	0.035
8	H	0.035

<r²>	53.168
(<r²>)^1/2	7.292

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

using model chemistry: B3PW91/6-31G

States and conformations

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