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	hartrees
Energy at 0K	-369.196524
Energy at 298.15K	-369.203051
HF Energy	-368.872568
Nuclear repulsion energy	58.970059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2534	2396	14.49
2	A₁	2518	2381	46.87
3	A₁	1138	1076	34.55
4	A₁	1053	996	193.17
5	A₁	513	485	0.31
6	A₂	236	223	0.00
7	E	2608	2466	103.00
7	E	2608	2466	103.00
8	E	2543	2405	10.15
8	E	2543	2405	10.15
9	E	1192	1127	7.06
9	E	1192	1127	7.06
10	E	1164	1101	5.81
10	E	1164	1101	5.81
11	E	863	816	3.85
11	E	863	816	3.85
12	E	384	363	0.37
12	E	384	363	0.37

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.399
P2	0.000	0.000	0.559
H3	0.000	-1.172	-1.677
H4	-1.015	0.586	-1.677
H5	1.015	0.586	-1.677
H6	0.000	1.240	1.214
H7	-1.074	-0.620	1.214
H8	1.074	-0.620	1.214

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9580	1.2047	1.2047	1.2047	2.8923	2.8923	2.8923
P2	1.9580		2.5250	2.5250	2.5250	1.4024	1.4024	1.4024
H3	1.2047	2.5250		2.0301	2.0301	3.7655	3.1334	3.1334
H4	1.2047	2.5250	2.0301		2.0301	3.1334	3.1334	3.7655
H5	1.2047	2.5250	2.0301	2.0301		3.1334	3.7655	3.1334
H6	2.8923	1.4024	3.7655	3.1334	3.1334		2.1479	2.1479
H7	2.8923	1.4024	3.1334	3.1334	3.7655	2.1479		2.1479
H8	2.8923	1.4024	3.1334	3.7655	3.1334	2.1479	2.1479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.841	B1	P2	H7	117.841
B1	P2	H8	117.841	P2	B1	H3	103.365
P2	B1	H4	103.365	P2	B1	H5	103.365
H3	B1	H4	114.825	H3	B1	H5	114.825
H4	B1	H5	114.825	H6	P2	H7	99.953
H6	P2	H8	99.953	H7	P2	H8	99.953

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

using model chemistry: CCSD/6-31G(2df,p)

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(2df,p)

States and conformations

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