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	hartrees
Energy at 0K	-369.262094
Energy at 298.15K
HF Energy	-368.909430
Nuclear repulsion energy	59.184746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2518	2518	26.15
2	A₁	2472	2472	43.41
3	A₁	1123	1123	31.22
4	A₁	1041	1041	200.37
5	A₁	526	526	0.77
6	A₂	238	238	0.00
7	E	2556	2556	139.45
7	E	2556	2556	139.45
8	E	2527	2527	0.00
8	E	2527	2527	0.00
9	E	1181	1181	8.54
9	E	1181	1181	8.54
10	E	1157	1157	3.62
10	E	1157	1157	3.62
11	E	854	854	3.14
11	E	854	854	3.14
12	E	382	382	0.80
12	E	382	382	0.80

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.388
P2	0.000	0.000	0.556
H3	0.000	-1.173	-1.670
H4	-1.016	0.587	-1.670
H5	1.016	0.587	-1.670
H6	0.000	1.241	1.206
H7	-1.074	-0.620	1.206
H8	1.074	-0.620	1.206

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9436	1.2064	1.2064	1.2064	2.8755	2.8755	2.8755
P2	1.9436		2.5158	2.5158	2.5158	1.4009	1.4009	1.4009
H3	1.2064	2.5158		2.0317	2.0317	3.7547	3.1195	3.1195
H4	1.2064	2.5158	2.0317		2.0317	3.1195	3.1195	3.7547
H5	1.2064	2.5158	2.0317	2.0317		3.1195	3.7547	3.1195
H6	2.8755	1.4009	3.7547	3.1195	3.1195		2.1490	2.1490
H7	2.8755	1.4009	3.1195	3.1195	3.7547	2.1490		2.1490
H8	2.8755	1.4009	3.1195	3.7547	3.1195	2.1490	2.1490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.665	B1	P2	H7	117.665
B1	P2	H8	117.665	P2	B1	H3	103.517
P2	B1	H4	103.517	P2	B1	H5	103.517
H3	B1	H4	114.712	H3	B1	H5	114.712
H4	B1	H5	114.712	H6	P2	H7	100.174
H6	P2	H8	100.174	H7	P2	H8	100.174

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

using model chemistry: CCD/aug-cc-pCVTZ

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/aug-cc-pCVTZ

States and conformations

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