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	hartrees
Energy at 0K	-369.291660
Energy at 298.15K	-369.298163
HF Energy	-368.912822
Nuclear repulsion energy	59.248008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2500	2424
2	A₁	2460	2385
3	A₁	1105	1071
4	A₁	1026	995
5	A₁	537	520
6	A₂	232	225
7	E	2545	2468
7	E	2544	2467
8	E	2509	2433
8	E	2508	2432
9	E	1164	1129
9	E	1164	1129
10	E	1140	1106
10	E	1140	1105
11	E	840	815
11	E	840	815
12	E	379	367
12	E	377	366

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.385
P2	0.000	0.000	0.553
H3	0.000	-1.173	-1.665
H4	-1.016	0.587	-1.665
H5	1.016	0.587	-1.665
H6	0.000	1.242	1.206
H7	-1.075	-0.621	1.206
H8	1.075	-0.621	1.206

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9378	1.2063	1.2063	1.2063	2.8730	2.8730	2.8730
P2	1.9378		2.5095	2.5095	2.5095	1.4030	1.4030	1.4030
H3	1.2063	2.5095		2.0322	2.0322	3.7519	3.1155	3.1155
H4	1.2063	2.5095	2.0322		2.0322	3.1155	3.1155	3.7519
H5	1.2063	2.5095	2.0322	2.0322		3.1155	3.7519	3.1155
H6	2.8730	1.4030	3.7519	3.1155	3.1155		2.1508	2.1508
H7	2.8730	1.4030	3.1155	3.1155	3.7519	2.1508		2.1508
H8	2.8730	1.4030	3.1155	3.7519	3.1155	2.1508	2.1508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.740	B1	P2	H7	117.740
B1	P2	H8	117.740	P2	B1	H3	103.445
P2	B1	H4	103.445	P2	B1	H5	103.445
H3	B1	H4	114.766	H3	B1	H5	114.766
H4	B1	H5	114.766	H6	P2	H7	100.080
H6	P2	H8	100.080	H7	P2	H8	100.080

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

using model chemistry: CCSD(T)/cc-pVQZ

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)/cc-pVQZ

States and conformations

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