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	hartrees
Energy at 0K	-369.143530
Energy at 298.15K	-369.150117
HF Energy	-368.862235
Nuclear repulsion energy	58.965560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2565	2392	25.07
2	A₁	2537	2366	58.51
3	A₁	1166	1087	32.02
4	A₁	1080	1007	234.16
5	A₁	514	479	0.12
6	A₂	250	233	0.00
7	E	2627	2450	142.88
7	E	2627	2450	142.88
8	E	2577	2403	18.07
8	E	2577	2403	18.07
9	E	1208	1127	8.84
9	E	1208	1127	8.84
10	E	1167	1088	11.67
10	E	1167	1088	11.67
11	E	890	830	1.76
11	E	890	830	1.76
12	E	396	370	2.39
12	E	396	370	2.39

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.402
P2	0.000	0.000	0.561
H3	0.000	-1.169	-1.683
H4	-1.012	0.584	-1.683
H5	1.012	0.584	-1.683
H6	0.000	1.237	1.213
H7	-1.071	-0.619	1.213
H8	1.071	-0.619	1.213

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9634	1.2020	1.2020	1.2020	2.8926	2.8926	2.8926
P2	1.9634		2.5302	2.5302	2.5302	1.3981	1.3981	1.3981
H3	1.2020	2.5302		2.0245	2.0245	3.7645	3.1359	3.1359
H4	1.2020	2.5302	2.0245		2.0245	3.1359	3.1359	3.7645
H5	1.2020	2.5302	2.0245	2.0245		3.1359	3.7645	3.1359
H6	2.8926	1.3981	3.7645	3.1359	3.1359		2.1426	2.1426
H7	2.8926	1.3981	3.1359	3.1359	3.7645	2.1426		2.1426
H8	2.8926	1.3981	3.1359	3.7645	3.1359	2.1426	2.1426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.770	B1	P2	H7	117.770
B1	P2	H8	117.770	P2	B1	H3	103.501
P2	B1	H4	103.501	P2	B1	H5	103.501
H3	B1	H4	114.724	H3	B1	H5	114.724
H4	B1	H5	114.724	H6	P2	H7	100.042
H6	P2	H8	100.042	H7	P2	H8	100.042

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

using model chemistry: CCSD/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/6-31G**

States and conformations

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