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	hartrees
Energy at 0K	-369.604175
Energy at 298.15K	-369.610649
HF Energy	-369.513431
Nuclear repulsion energy	58.622556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2484	2484	35.33
2	A₁	2465	2465	45.04
3	A₁	1099	1099	40.18
4	A₁	1013	1013	191.14
5	A₁	512	512	0.32
6	A₂	227	227	0.00
7	E	2549	2549	142.13
7	E	2549	2549	142.09
8	E	2499	2499	3.80
8	E	2499	2499	3.77
9	E	1161	1161	7.61
9	E	1161	1161	7.61
10	E	1130	1130	2.83
10	E	1130	1130	2.82
11	E	837	837	2.97
11	E	837	837	2.97
12	E	375	375	0.41
12	E	375	375	0.40

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.403
P2	0.000	0.000	0.560
H3	0.000	-1.180	-1.684
H4	-1.022	0.590	-1.684
H5	1.022	0.590	-1.684
H6	0.000	1.252	1.223
H7	-1.084	-0.626	1.223
H8	1.084	-0.626	1.223

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9633	1.2130	1.2130	1.2130	2.9094	2.9094	2.9094
P2	1.9633		2.5352	2.5352	2.5352	1.4168	1.4168	1.4168
H3	1.2130	2.5352		2.0439	2.0439	3.7901	3.1515	3.1515
H4	1.2130	2.5352	2.0439		2.0439	3.1515	3.1515	3.7901
H5	1.2130	2.5352	2.0439	2.0439		3.1515	3.7901	3.1515
H6	2.9094	1.4168	3.7901	3.1515	3.1515		2.1689	2.1689
H7	2.9094	1.4168	3.1515	3.1515	3.7901	2.1689		2.1689
H8	2.9094	1.4168	3.1515	3.7901	3.1515	2.1689	2.1689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.894	B1	P2	H7	117.894
B1	P2	H8	117.894	P2	B1	H3	103.374
P2	B1	H4	103.374	P2	B1	H5	103.374
H3	B1	H4	114.819	H3	B1	H5	114.819
H4	B1	H5	114.819	H6	P2	H7	99.886
H6	P2	H8	99.886	H7	P2	H8	99.886

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

using model chemistry: B2PLYP=FULL/daug-cc-pVDZ

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=FULL/daug-cc-pVDZ

States and conformations

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