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	hartrees
Energy at 0K	-369.099877
Energy at 298.15K	-369.106440
HF Energy	-368.852373
Nuclear repulsion energy	58.747814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2515	2420
2	A₁	2493	2399
3	A₁	1138	1095
4	A₁	1056	1016
5	A₁	525	506
6	A₂	251	241
7	E	2580	2482
7	E	2580	2482
8	E	2527	2431
8	E	2527	2431
9	E	1176	1132
9	E	1176	1131
10	E	1137	1094
10	E	1137	1094
11	E	879	846
11	E	879	846
12	E	398	383
12	E	397	382

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.398
P2	0.000	0.000	0.560
H3	0.000	-1.177	-1.687
H4	-1.019	0.589	-1.687
H5	1.019	0.589	-1.687
H6	0.000	1.248	1.220
H7	-1.081	-0.624	1.220
H8	1.081	-0.624	1.220

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9581	1.2121	1.2121	1.2121	2.9005	2.9005	2.9005
P2	1.9581		2.5367	2.5367	2.5367	1.4119	1.4119	1.4119
H3	1.2121	2.5367		2.0389	2.0389	3.7859	3.1505	3.1505
H4	1.2121	2.5367	2.0389		2.0389	3.1505	3.1505	3.7859
H5	1.2121	2.5367	2.0389	2.0389		3.1505	3.7859	3.1505
H6	2.9005	1.4119	3.7859	3.1505	3.1505		2.1617	2.1617
H7	2.9005	1.4119	3.1505	3.1505	3.7859	2.1617		2.1617
H8	2.9005	1.4119	3.1505	3.7859	3.1505	2.1617	2.1617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.876	B1	P2	H7	117.876
B1	P2	H8	117.876	P2	B1	H3	103.794
P2	B1	H4	103.794	P2	B1	H5	103.794
H3	B1	H4	114.502	H3	B1	H5	114.502
H4	B1	H5	114.502	H6	P2	H7	99.909
H6	P2	H8	99.909	H7	P2	H8	99.909

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

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

States and conformations

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