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	hartrees
Energy at 0K	-369.154242
Energy at 298.15K	-369.160821
HF Energy	-368.863957
Nuclear repulsion energy	58.984178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2550	2447
2	A₁	2512	2410
3	A₁	1149	1102
4	A₁	1067	1024
5	A₁	523	502
6	A₂	250	240
7	E	2598	2493
7	E	2598	2493
8	E	2562	2459
8	E	2562	2458
9	E	1190	1141
9	E	1189	1141
10	E	1155	1109
10	E	1155	1108
11	E	879	843
11	E	879	843
12	E	393	378
12	E	393	377

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.399
P2	0.000	0.000	0.561
H3	0.000	-1.171	-1.681
H4	-1.014	0.585	-1.681
H5	1.014	0.585	-1.681
H6	0.000	1.239	1.210
H7	-1.073	-0.620	1.210
H8	1.073	-0.620	1.210

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9596	1.2046	1.2046	1.2046	2.8881	2.8881	2.8881
P2	1.9596		2.5294	2.5294	2.5294	1.3990	1.3990	1.3990
H3	1.2046	2.5294		2.0282	2.0282	3.7641	3.1328	3.1328
H4	1.2046	2.5294	2.0282		2.0282	3.1328	3.1328	3.7641
H5	1.2046	2.5294	2.0282	2.0282		3.1328	3.7641	3.1328
H6	2.8881	1.3990	3.7641	3.1328	3.1328		2.1466	2.1466
H7	2.8881	1.3990	3.1328	3.1328	3.7641	2.1466		2.1466
H8	2.8881	1.3990	3.1328	3.7641	3.1328	2.1466	2.1466

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.645	B1	P2	H7	117.645
B1	P2	H8	117.645	P2	B1	H3	103.561
P2	B1	H4	103.561	P2	B1	H5	103.561
H3	B1	H4	114.678	H3	B1	H5	114.678
H4	B1	H5	114.678	H6	P2	H7	100.200
H6	P2	H8	100.200	H7	P2	H8	100.200

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

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

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)/6-31+G**

States and conformations

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