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	hartrees
Energy at 0K	-368.873008
Energy at 298.15K	-368.879561
HF Energy	-368.873008
Nuclear repulsion energy	58.394250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2620	2372	25.92
2	A₁	2536	2296	75.99
3	A₁	1212	1097	61.51
4	A₁	1118	1013	260.67
5	A₁	438	397	3.11
6	A₂	226	204	0.00
7	E	2630	2381	107.19
7	E	2630	2381	107.19
8	E	2600	2354	96.90
8	E	2600	2354	96.90
9	E	1263	1144	15.57
9	E	1263	1144	15.57
10	E	1234	1117	8.03
10	E	1234	1117	8.03
11	E	909	823	2.97
11	E	909	823	2.97
12	E	401	363	1.77
12	E	401	363	1.77

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.431
P2	0.000	0.000	0.575
H3	0.000	-1.174	-1.705
H4	-1.017	0.587	-1.705
H5	1.017	0.587	-1.705
H6	0.000	1.239	1.216
H7	-1.073	-0.619	1.216
H8	1.073	-0.619	1.216

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.0054	1.2056	1.2056	1.2056	2.9217	2.9217	2.9217
P2	2.0054		2.5647	2.5647	2.5647	1.3947	1.3947	1.3947
H3	1.2056	2.5647		2.0332	2.0332	3.7886	3.1609	3.1609
H4	1.2056	2.5647	2.0332		2.0332	3.1609	3.1609	3.7886
H5	1.2056	2.5647	2.0332	2.0332		3.1609	3.7886	3.1609
H6	2.9217	1.3947	3.7886	3.1609	3.1609		2.1457	2.1457
H7	2.9217	1.3947	3.1609	3.1609	3.7886	2.1457		2.1457
H8	2.9217	1.3947	3.1609	3.7886	3.1609	2.1457	2.1457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.349	B1	P2	H7	117.349
B1	P2	H8	117.349	P2	B1	H3	103.182
P2	B1	H4	103.182	P2	B1	H5	103.182
H3	B1	H4	114.961	H3	B1	H5	114.961
H4	B1	H5	114.961	H6	P2	H7	100.569
H6	P2	H8	100.569	H7	P2	H8	100.569

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

using model chemistry: HF/6-31G(2df,p)

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	-0.118
2	P	0.085
3	H	-0.072
4	H	-0.072
5	H	-0.072
6	H	0.083
7	H	0.083
8	H	0.083

<r²>	52.513
(<r²>)^1/2	7.247

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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