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	hartrees
Energy at 0K	-369.786525
Energy at 298.15K	-369.793019
HF Energy	-369.786525
Nuclear repulsion energy	58.753262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2495	2396	22.76
2	A₁	2488	2389	68.49
3	A₁	1118	1073	2.81
4	A₁	1050	1008	225.93
5	A₁	499	479	0.47
6	A₂	245	235	0.00
7	E	2567	2465	139.99
7	E	2567	2465	140.00
8	E	2504	2404	25.57
8	E	2504	2404	25.58
9	E	1168	1122	10.31
9	E	1168	1122	10.31
10	E	1148	1102	3.40
10	E	1148	1102	3.40
11	E	855	821	3.19
11	E	855	821	3.19
12	E	385	370	0.40
12	E	385	370	0.40

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.402
P2	0.000	0.000	0.558
H3	0.000	-1.175	-1.686
H4	-1.017	0.587	-1.686
H5	1.017	0.587	-1.686
H6	0.000	1.241	1.230
H7	-1.075	-0.621	1.230
H8	1.075	-0.621	1.230

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9604	1.2087	1.2087	1.2087	2.9103	2.9103	2.9103
P2	1.9604		2.5334	2.5334	2.5334	1.4114	1.4114	1.4114
H3	1.2087	2.5334		2.0350	2.0350	3.7873	3.1573	3.1573
H4	1.2087	2.5334	2.0350		2.0350	3.1573	3.1573	3.7873
H5	1.2087	2.5334	2.0350	2.0350		3.1573	3.7873	3.1573
H6	2.9103	1.4114	3.7873	3.1573	3.1573		2.1499	2.1499
H7	2.9103	1.4114	3.1573	3.1573	3.7873	2.1499		2.1499
H8	2.9103	1.4114	3.1573	3.7873	3.1573	2.1499	2.1499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.430	B1	P2	H7	118.430
B1	P2	H8	118.430	P2	B1	H3	103.595
P2	B1	H4	103.595	P2	B1	H5	103.595
H3	B1	H4	114.653	H3	B1	H5	114.653
H4	B1	H5	114.653	H6	P2	H7	99.208
H6	P2	H8	99.208	H7	P2	H8	99.208

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

using model chemistry: B3LYP/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	-0.181
2	P	0.145
3	H	-0.038
4	H	-0.038
5	H	-0.038
6	H	0.051
7	H	0.051
8	H	0.051

<r²>	51.525
(<r²>)^1/2	7.178

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

using model chemistry: B3LYP/6-31G*

States and conformations

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