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	hartrees
Energy at 0K	-369.650238
Energy at 298.15K
HF Energy	-368.909183
Nuclear repulsion energy	59.379279

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.381
P2	0.000	0.000	0.551
H3	0.000	-1.172	-1.661
H4	-1.015	0.586	-1.661
H5	1.015	0.586	-1.661
H6	0.000	1.238	1.205
H7	-1.072	-0.619	1.205
H8	1.072	-0.619	1.205

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9322	1.2053	1.2053	1.2053	2.8672	2.8672	2.8672
P2	1.9322		2.5035	2.5035	2.5035	1.4003	1.4003	1.4003
H3	1.2053	2.5035		2.0306	2.0306	3.7449	3.1095	3.1095
H4	1.2053	2.5035	2.0306		2.0306	3.1095	3.1095	3.7449
H5	1.2053	2.5035	2.0306	2.0306		3.1095	3.7449	3.1095
H6	2.8672	1.4003	3.7449	3.1095	3.1095		2.1447	2.1447
H7	2.8672	1.4003	3.1095	3.1095	3.7449	2.1447		2.1447
H8	2.8672	1.4003	3.1095	3.7449	3.1095	2.1447	2.1447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.836	B1	P2	H7	117.836
B1	P2	H8	117.836	P2	B1	H3	103.426
P2	B1	H4	103.426	P2	B1	H5	103.426
H3	B1	H4	114.780	H3	B1	H5	114.780
H4	B1	H5	114.780	H6	P2	H7	99.960
H6	P2	H8	99.960	H7	P2	H8	99.960

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

using model chemistry: MP4=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: MP4=FULL/aug-cc-pCVTZ

States and conformations

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