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	hartrees
Energy at 0K	-369.115504
Energy at 298.15K	-369.122076
HF Energy	-368.852271
Nuclear repulsion energy	58.833322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2515	2441
2	A₁	2494	2421
3	A₁	1139	1106
4	A₁	1057	1027
5	A₁	531	515
6	A₂	252	245
7	E	2581	2506
7	E	2581	2506
8	E	2527	2453
8	E	2526	2452
9	E	1176	1141
9	E	1176	1141
10	E	1138	1104
10	E	1137	1104
11	E	880	854
11	E	880	854
12	E	399	388
12	E	399	387

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.394
P2	0.000	0.000	0.558
H3	0.000	-1.176	-1.684
H4	-1.019	0.588	-1.684
H5	1.019	0.588	-1.684
H6	0.000	1.248	1.218
H7	-1.081	-0.624	1.218
H8	1.081	-0.624	1.218

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9525	1.2116	1.2116	1.2116	2.8954	2.8954	2.8954
P2	1.9525		2.5323	2.5323	2.5323	1.4118	1.4118	1.4118
H3	1.2116	2.5323		2.0375	2.0375	3.7819	3.1462	3.1462
H4	1.2116	2.5323	2.0375		2.0376	3.1462	3.1462	3.7819
H5	1.2116	2.5323	2.0375	2.0376		3.1462	3.7819	3.1462
H6	2.8954	1.4118	3.7819	3.1462	3.1462		2.1614	2.1614
H7	2.8954	1.4118	3.1462	3.1462	3.7819	2.1614		2.1614
H8	2.8954	1.4118	3.1462	3.7819	3.1462	2.1614	2.1614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.883	B1	P2	H7	117.883
B1	P2	H8	117.883	P2	B1	H3	103.847
P2	B1	H4	103.847	P2	B1	H5	103.847
H3	B1	H4	114.462	H3	B1	H5	114.462
H4	B1	H5	114.462	H6	P2	H7	99.900
H6	P2	H8	99.900	H7	P2	H8	99.900

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

using model chemistry: CCSD(T)=FULL/6-31G*

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: CCSD(T)=FULL/6-31G*

States and conformations

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