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	hartrees
Energy at 0K	-369.206316
Energy at 298.15K	-369.212772
HF Energy	-368.879705
Nuclear repulsion energy	58.353129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2483	2412
2	A₁	2455	2384
3	A₁	1101	1069
4	A₁	1011	982
5	A₁	511	496
6	A₂	223	216
7	E	2536	2462
7	E	2535	2462
8	E	2498	2426
8	E	2498	2426
9	E	1161	1128
9	E	1160	1127
10	E	1132	1100
10	E	1131	1099
11	E	833	809
11	E	833	809
12	E	373	363
12	E	371	361

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.412
P2	0.000	0.000	0.564
H3	0.000	-1.188	-1.692
H4	-1.029	0.594	-1.692
H5	1.029	0.594	-1.692
H6	0.000	1.255	1.226
H7	-1.087	-0.627	1.226
H8	1.087	-0.627	1.226

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9761	1.2203	1.2203	1.2203	2.9219	2.9219	2.9219
P2	1.9761		2.5491	2.5491	2.5491	1.4189	1.4189	1.4189
H3	1.2203	2.5491		2.0575	2.0575	3.8054	3.1638	3.1638
H4	1.2203	2.5491	2.0575		2.0575	3.1638	3.1638	3.8054
H5	1.2203	2.5491	2.0575	2.0575		3.1638	3.8054	3.1638
H6	2.9219	1.4189	3.8054	3.1638	3.1638		2.1731	2.1731
H7	2.9219	1.4189	3.1638	3.1638	3.8054	2.1731		2.1731
H8	2.9219	1.4189	3.1638	3.8054	3.1638	2.1731	2.1731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.842	B1	P2	H7	117.842
B1	P2	H8	117.842	P2	B1	H3	103.228
P2	B1	H4	103.228	P2	B1	H5	103.228
H3	B1	H4	114.926	H3	B1	H5	114.926
H4	B1	H5	114.926	H6	P2	H7	99.952
H6	P2	H8	99.952	H7	P2	H8	99.952

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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