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	hartrees
Energy at 0K	-369.253022
Energy at 298.15K	-369.259556
HF Energy	-368.905565
Nuclear repulsion energy	59.034096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2519	2352	23.27
2	A₁	2478	2313	48.87
3	A₁	1125	1051	34.00
4	A₁	1040	972	204.90
5	A₁	518	484	0.40
6	A₂	234	218	0.00
7	E	2564	2394	134.73
7	E	2564	2394	134.73
8	E	2529	2361	1.57
8	E	2529	2361	1.57
9	E	1186	1108	7.18
9	E	1186	1108	7.18
10	E	1158	1082	4.78
10	E	1158	1082	4.78
11	E	854	797	2.69
11	E	854	797	2.69
12	E	385	359	0.89
12	E	385	359	0.89

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.395
P2	0.000	0.000	0.558
H3	0.000	-1.172	-1.675
H4	-1.015	0.586	-1.675
H5	1.015	0.586	-1.675
H6	0.000	1.242	1.210
H7	-1.076	-0.621	1.210
H8	1.076	-0.621	1.210

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9527	1.2053	1.2053	1.2053	2.8855	2.8855	2.8855
P2	1.9527		2.5223	2.5223	2.5223	1.4028	1.4028	1.4028
H3	1.2053	2.5223		2.0302	2.0302	3.7621	3.1281	3.1281
H4	1.2053	2.5223	2.0302		2.0302	3.1281	3.1281	3.7621
H5	1.2053	2.5223	2.0302	2.0302		3.1281	3.7621	3.1281
H6	2.8855	1.4028	3.7621	3.1281	3.1281		2.1517	2.1517
H7	2.8855	1.4028	3.1281	3.1281	3.7621	2.1517		2.1517
H8	2.8855	1.4028	3.1281	3.7621	3.1281	2.1517	2.1517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.683	B1	P2	H7	117.683
B1	P2	H8	117.683	P2	B1	H3	103.468
P2	B1	H4	103.468	P2	B1	H5	103.468
H3	B1	H4	114.748	H3	B1	H5	114.748
H4	B1	H5	114.748	H6	P2	H7	100.151
H6	P2	H8	100.151	H7	P2	H8	100.151

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

using model chemistry: CCD/cc-pVTZ

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: CCD/cc-pVTZ

States and conformations

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