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	hartrees
Energy at 0K	-369.585920
Energy at 298.15K
HF Energy	-369.500370
Nuclear repulsion energy	58.988996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2536	2536	36.11
2	A₁	2505	2505	59.93
3	A₁	1130	1130	10.88
4	A₁	1057	1057	242.36
5	A₁	514	514	0.32
6	A₂	248	248	0.00
7	E	2586	2586	165.71
7	E	2586	2586	165.71
8	E	2547	2547	5.67
8	E	2547	2547	5.68
9	E	1180	1180	7.16
9	E	1180	1180	7.16
10	E	1158	1158	6.44
10	E	1158	1158	6.45
11	E	867	867	1.72
11	E	867	867	1.72
12	E	395	395	1.65
12	E	395	395	1.65

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.397
P2	0.000	0.000	0.559
H3	0.000	-1.171	-1.680
H4	-1.014	0.585	-1.680
H5	1.014	0.585	-1.680
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		1.9556	1.2045	1.2045	1.2045	2.8900	2.8900	2.8900
P2	1.9556		2.5269	2.5269	2.5269	1.4026	1.4026	1.4026
H3	1.2045	2.5269		2.0275	2.0275	3.7668	3.1356	3.1356
H4	1.2045	2.5269	2.0275		2.0275	3.1356	3.1356	3.7668
H5	1.2045	2.5269	2.0275	2.0275		3.1356	3.7668	3.1356
H6	2.8900	1.4026	3.7668	3.1356	3.1356		2.1486	2.1486
H7	2.8900	1.4026	3.1356	3.1356	3.7668	2.1486		2.1486
H8	2.8900	1.4026	3.1356	3.7668	3.1356	2.1486	2.1486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.822	B1	P2	H7	117.822
B1	P2	H8	117.822	P2	B1	H3	103.627
P2	B1	H4	103.627	P2	B1	H5	103.627
H3	B1	H4	114.629	H3	B1	H5	114.629
H4	B1	H5	114.629	H6	P2	H7	99.977
H6	P2	H8	99.977	H7	P2	H8	99.977

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31+G**

States and conformations

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