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	hartrees
Energy at 0K	-369.374877
Energy at 298.15K
HF Energy	-368.912686
Nuclear repulsion energy	59.499846

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.377
P2	0.000	0.000	0.551
H3	0.000	-1.170	-1.659
H4	-1.013	0.585	-1.659
H5	1.013	0.585	-1.659
H6	0.000	1.237	1.201
H7	-1.071	-0.618	1.201
H8	1.071	-0.618	1.201

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9277	1.2032	1.2032	1.2032	2.8597	2.8597	2.8597
P2	1.9277		2.4996	2.4996	2.4996	1.3975	1.3975	1.3975
H3	1.2032	2.4996		2.0262	2.0262	3.7376	3.1031	3.1031
H4	1.2032	2.4996	2.0262		2.0262	3.1031	3.1031	3.7376
H5	1.2032	2.4996	2.0262	2.0262		3.1031	3.7376	3.1031
H6	2.8597	1.3975	3.7376	3.1031	3.1031		2.1422	2.1422
H7	2.8597	1.3975	3.1031	3.1031	3.7376	2.1422		2.1422
H8	2.8597	1.3975	3.1031	3.7376	3.1031	2.1422	2.1422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.749	B1	P2	H7	117.749
B1	P2	H8	117.749	P2	B1	H3	103.524
P2	B1	H4	103.524	P2	B1	H5	103.524
H3	B1	H4	114.707	H3	B1	H5	114.707
H4	B1	H5	114.707	H6	P2	H7	100.068
H6	P2	H8	100.068	H7	P2	H8	100.068

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

using model chemistry: QCISD(T)=FULL/cc-pVQZ

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

using model chemistry: QCISD(T)=FULL/cc-pVQZ

States and conformations

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