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	hartrees
Energy at 0K	-369.797383
Energy at 298.15K	-369.803881
HF Energy	-369.797383
Nuclear repulsion energy	58.751567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2478	2390	24.66
2	A₁	2470	2381	76.36
3	A₁	1104	1065	4.90
4	A₁	1036	999	236.68
5	A₁	498	480	0.50
6	A₂	241	232	0.00
7	E	2545	2454	155.94
7	E	2545	2454	155.93
8	E	2488	2399	14.01
8	E	2488	2399	14.01
9	E	1158	1116	6.87
9	E	1158	1116	6.87
10	E	1138	1097	4.26
10	E	1138	1097	4.26
11	E	848	817	2.02
11	E	848	817	2.02
12	E	388	374	0.79
12	E	388	374	0.79

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.402
P2	0.000	0.000	0.560
H3	0.000	-1.174	-1.686
H4	-1.017	0.587	-1.686
H5	1.017	0.587	-1.686
H6	0.000	1.244	1.225
H7	-1.078	-0.622	1.225
H8	1.078	-0.622	1.225

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9616	1.2082	1.2082	1.2082	2.9064	2.9064	2.9064
P2	1.9616		2.5343	2.5343	2.5343	1.4108	1.4108	1.4108
H3	1.2082	2.5343		2.0340	2.0340	3.7845	3.1526	3.1526
H4	1.2082	2.5343	2.0340		2.0340	3.1526	3.1526	3.7845
H5	1.2082	2.5343	2.0340	2.0340		3.1526	3.7845	3.1526
H6	2.9064	1.4108	3.7845	3.1526	3.1526		2.1552	2.1552
H7	2.9064	1.4108	3.1526	3.1526	3.7845	2.1552		2.1552
H8	2.9064	1.4108	3.1526	3.7845	3.1526	2.1552	2.1552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.120	B1	P2	H7	118.120
B1	P2	H8	118.120	P2	B1	H3	103.602
P2	B1	H4	103.602	P2	B1	H5	103.602
H3	B1	H4	114.648	H3	B1	H5	114.648
H4	B1	H5	114.648	H6	P2	H7	99.601
H6	P2	H8	99.601	H7	P2	H8	99.601

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

using model chemistry: B3LYP/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	-0.290
2	P	0.343
3	H	-0.034
4	H	-0.034
5	H	-0.034
6	H	0.016
7	H	0.016
8	H	0.016

<r²>	51.926
(<r²>)^1/2	7.206

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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