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	hartrees
Energy at 0K	-369.652316
Energy at 298.15K
HF Energy	-368.909222
Nuclear repulsion energy	59.327388

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.382
P2	0.000	0.000	0.552
H3	0.000	-1.173	-1.663
H4	-1.016	0.586	-1.663
H5	1.016	0.586	-1.663
H6	0.000	1.239	1.206
H7	-1.073	-0.620	1.206
H8	1.073	-0.620	1.206

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9342	1.2061	1.2061	1.2061	2.8694	2.8694	2.8694
P2	1.9342		2.5065	2.5065	2.5065	1.4011	1.4011	1.4011
H3	1.2061	2.5065		2.0315	2.0315	3.7482	3.1127	3.1127
H4	1.2061	2.5065	2.0315		2.0315	3.1127	3.1127	3.7482
H5	1.2061	2.5065	2.0315	2.0315		3.1127	3.7482	3.1127
H6	2.8694	1.4011	3.7482	3.1127	3.1127		2.1464	2.1464
H7	2.8694	1.4011	3.1127	3.1127	3.7482	2.1464		2.1464
H8	2.8694	1.4011	3.1127	3.7482	3.1127	2.1464	2.1464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.818	B1	P2	H7	117.818
B1	P2	H8	117.818	P2	B1	H3	103.468
P2	B1	H4	103.468	P2	B1	H5	103.468
H3	B1	H4	114.749	H3	B1	H5	114.749
H4	B1	H5	114.749	H6	P2	H7	99.982
H6	P2	H8	99.982	H7	P2	H8	99.982

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

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

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/aug-cc-pCVTZ

States and conformations

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