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	hartrees
Energy at 0K	-369.426838
Energy at 298.15K	-369.433404
HF Energy	-368.903371
Nuclear repulsion energy	59.452695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2547	2547	23.63
2	A₁	2511	2511	44.23
3	A₁	1128	1128	20.85
4	A₁	1048	1048	208.29
5	A₁	539	539	1.70
6	A₂	245	245	0.00
7	E	2597	2597	125.97
7	E	2597	2597	125.97
8	E	2555	2555	2.85
8	E	2555	2555	2.85
9	E	1192	1192	6.49
9	E	1192	1192	6.49
10	E	1166	1166	4.68
10	E	1166	1166	4.68
11	E	857	857	3.96
11	E	857	857	3.96
12	E	389	389	0.70
12	E	389	389	0.70

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.381
P2	0.000	0.000	0.552
H3	0.000	-1.166	-1.662
H4	-1.010	0.583	-1.662
H5	1.010	0.583	-1.662
H6	0.000	1.236	1.203
H7	-1.070	-0.618	1.203
H8	1.070	-0.618	1.203

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9338	1.1996	1.1996	1.1996	2.8643	2.8643	2.8643
P2	1.9338		2.5030	2.5030	2.5030	1.3964	1.3964	1.3964
H3	1.1996	2.5030		2.0201	2.0201	3.7386	3.1070	3.1070
H4	1.1996	2.5030	2.0201		2.0201	3.1070	3.1070	3.7386
H5	1.1996	2.5030	2.0201	2.0201		3.1070	3.7386	3.1070
H6	2.8643	1.3964	3.7386	3.1070	3.1070		2.1404	2.1404
H7	2.8643	1.3964	3.1070	3.1070	3.7386	2.1404		2.1404
H8	2.8643	1.3964	3.1070	3.7386	3.1070	2.1404	2.1404

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.748	B1	P2	H7	117.748
B1	P2	H8	117.748	P2	B1	H3	103.539
P2	B1	H4	103.539	P2	B1	H5	103.539
H3	B1	H4	114.695	H3	B1	H5	114.695
H4	B1	H5	114.695	H6	P2	H7	100.069
H6	P2	H8	100.069	H7	P2	H8	100.069

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

using model chemistry: MP3=FULL/Def2TZVPP

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: MP3=FULL/Def2TZVPP

States and conformations

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