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	hartrees
Energy at 0K	-369.100026
Energy at 298.15K	-369.106588
HF Energy	-368.852369
Nuclear repulsion energy	58.745805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2514	2412
2	A₁	2492	2391
3	A₁	1138	1091
4	A₁	1056	1013
5	A₁	526	504
6	A₂	251	241
7	E	2579	2474
7	E	2579	2474
8	E	2526	2423
8	E	2526	2423
9	E	1176	1128
9	E	1176	1128
10	E	1137	1091
10	E	1137	1091
11	E	879	843
11	E	879	843
12	E	397	381
12	E	397	381

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	-1.688
H4	-1.020	0.589	-1.688
H5	1.020	0.589	-1.688
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	1.2122	1.2122	1.2122	2.9006	2.9006	2.9006
P2	1.9581		2.5369	2.5369	2.5369	1.4119	1.4119	1.4119
H3	1.2122	2.5369		2.0390	2.0390	3.7862	3.1508	3.1508
H4	1.2122	2.5369	2.0390		2.0390	3.1508	3.1508	3.7862
H5	1.2122	2.5369	2.0390	2.0390		3.1508	3.7862	3.1508
H6	2.9006	1.4119	3.7862	3.1508	3.1508		2.1616	2.1616
H7	2.9006	1.4119	3.1508	3.1508	3.7862	2.1616		2.1616
H8	2.9006	1.4119	3.1508	3.7862	3.1508	2.1616	2.1616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.882	B1	P2	H7	117.882
B1	P2	H8	117.882	P2	B1	H3	103.795
P2	B1	H4	103.795	P2	B1	H5	103.795
H3	B1	H4	114.501	H3	B1	H5	114.501
H4	B1	H5	114.501	H6	P2	H7	99.902
H6	P2	H8	99.902	H7	P2	H8	99.902

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

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

States and conformations

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