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	hartrees
Energy at 0K	-369.672650
Energy at 298.15K	-369.678950
HF Energy	-369.672650
Nuclear repulsion energy	57.005379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2441	2423	32.97
2	A₁	2272	2254	84.61
3	A₁	1088	1080	70.89
4	A₁	983	975	151.81
5	A₁	408	405	1.94
6	A₂	207	205	0.00
7	E	2525	2506	135.42
7	E	2525	2506	135.44
8	E	2302	2285	56.20
8	E	2302	2285	56.21
9	E	1144	1135	4.50
9	E	1144	1135	4.50
10	E	1092	1084	6.67
10	E	1092	1084	6.67
11	E	836	830	0.87
11	E	836	830	0.88
12	E	371	368	0.09
12	E	371	368	0.09

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.470
P2	0.000	0.000	0.584
H3	0.000	-1.182	-1.742
H4	-1.023	0.591	-1.742
H5	1.023	0.591	-1.742
H6	0.000	1.268	1.273
H7	-1.099	-0.634	1.273
H8	1.099	-0.634	1.273

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.0536	1.2126	1.2126	1.2126	3.0218	3.0218	3.0218
P2	2.0536		2.6087	2.6087	2.6087	1.4436	1.4436	1.4436
H3	1.2126	2.6087		2.0468	2.0468	3.8849	3.2550	3.2550
H4	1.2126	2.6087	2.0468		2.0468	3.2550	3.2550	3.8849
H5	1.2126	2.6087	2.0468	2.0468		3.2550	3.8849	3.2550
H6	3.0218	1.4436	3.8849	3.2550	3.2550		2.1971	2.1971
H7	3.0218	1.4436	3.2550	3.2550	3.8849	2.1971		2.1971
H8	3.0218	1.4436	3.2550	3.8849	3.2550	2.1971	2.1971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.511	B1	P2	H7	118.511
B1	P2	H8	118.511	P2	B1	H3	102.966
P2	B1	H4	102.966	P2	B1	H5	102.966
H3	B1	H4	115.118	H3	B1	H5	115.118
H4	B1	H5	115.118	H6	P2	H7	99.104
H6	P2	H8	99.104	H7	P2	H8	99.104

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

using model chemistry: BLYP/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	-0.085
2	P	0.162
3	H	-0.055
4	H	-0.055
5	H	-0.055
6	H	0.029
7	H	0.029
8	H	0.029

<r²>	54.336
(<r²>)^1/2	7.371

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

using model chemistry: BLYP/6-31G

States and conformations

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