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	hartrees
Energy at 0K	-369.760972
Energy at 298.15K	-369.767478
HF Energy	-369.760972
Nuclear repulsion energy	58.917842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2511	2391	38.92
2	A₁	2461	2344	60.39
3	A₁	1109	1056	6.17
4	A₁	1038	989	223.05
5	A₁	520	495	0.69
6	A₂	231	220	0.00
7	E	2549	2427	168.84
7	E	2548	2427	168.89
8	E	2518	2398	1.17
8	E	2518	2398	1.18
9	E	1162	1107	8.68
9	E	1162	1107	8.68
10	E	1149	1094	2.65
10	E	1149	1094	2.64
11	E	852	811	1.43
11	E	852	811	1.42
12	E	387	368	1.01
12	E	387	368	1.01

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.395
P2	0.000	0.000	0.559
H3	0.000	-1.176	-1.682
H4	-1.019	0.588	-1.682
H5	1.019	0.588	-1.682
H6	0.000	1.243	1.214
H7	-1.077	-0.622	1.214
H8	1.077	-0.622	1.214

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9540	1.2106	1.2106	1.2106	2.8903	2.8903	2.8903
P2	1.9540		2.5308	2.5308	2.5308	1.4053	1.4053	1.4053
H3	1.2106	2.5308		2.0371	2.0371	3.7737	3.1393	3.1393
H4	1.2106	2.5308	2.0371		2.0371	3.1393	3.1393	3.7737
H5	1.2106	2.5308	2.0371	2.0371		3.1393	3.7737	3.1393
H6	2.8903	1.4053	3.7737	3.1393	3.1393		2.1531	2.1531
H7	2.8903	1.4053	3.1393	3.1393	3.7737	2.1531		2.1531
H8	2.8903	1.4053	3.1393	3.7737	3.1393	2.1531	2.1531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.797	B1	P2	H7	117.797
B1	P2	H8	117.797	P2	B1	H3	103.712
P2	B1	H4	103.712	P2	B1	H5	103.712
H3	B1	H4	114.565	H3	B1	H5	114.565
H4	B1	H5	114.564	H6	P2	H7	100.008
H6	P2	H8	100.008	H7	P2	H8	100.008

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

using model chemistry: wB97X-D/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	-0.337
2	P	0.369
3	H	-0.029
4	H	-0.029
5	H	-0.029
6	H	0.019
7	H	0.019
8	H	0.019

	x	y	z
x	5.636	0.000	0.000
y	0.000	5.638	-0.001
z	0.000	-0.001	7.698

<r²>	51.578
(<r²>)^1/2	7.182

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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