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	hartrees
Energy at 0K	-369.654541
Energy at 298.15K
HF Energy	-369.527424
Nuclear repulsion energy	59.074590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2514	2514	39.03
2	A₁	2477	2477	45.31
3	A₁	1125	1125	10.25
4	A₁	1050	1050	232.45
5	A₁	520	520	0.53
6	A₂	242	242	0.00
7	E	2556	2556	149.49
7	E	2556	2556	149.50
8	E	2521	2521	1.69
8	E	2521	2521	1.69
9	E	1175	1175	10.59
9	E	1175	1175	10.59
10	E	1156	1156	3.70
10	E	1156	1156	3.70
11	E	862	862	2.62
11	E	862	862	2.62
12	E	396	396	1.87
12	E	396	396	1.87

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.391
P2	0.000	0.000	0.557
H3	0.000	-1.170	-1.677
H4	-1.013	0.585	-1.677
H5	1.013	0.585	-1.677
H6	0.000	1.243	1.210
H7	-1.077	-0.622	1.210
H8	1.077	-0.622	1.210

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9479	1.2041	1.2041	1.2041	2.8832	2.8832	2.8832
P2	1.9479		2.5217	2.5217	2.5217	1.4045	1.4045	1.4045
H3	1.2041	2.5217		2.0258	2.0258	3.7630	3.1301	3.1301
H4	1.2041	2.5217	2.0258		2.0258	3.1301	3.1301	3.7630
H5	1.2041	2.5217	2.0258	2.0258		3.1301	3.7630	3.1301
H6	2.8832	1.4045	3.7630	3.1301	3.1301		2.1535	2.1535
H7	2.8832	1.4045	3.1301	3.1301	3.7630	2.1535		2.1535
H8	2.8832	1.4045	3.1301	3.7630	3.1301	2.1535	2.1535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.725	B1	P2	H7	117.725
B1	P2	H8	117.725	P2	B1	H3	103.751
P2	B1	H4	103.751	P2	B1	H5	103.751
H3	B1	H4	114.535	H3	B1	H5	114.535
H4	B1	H5	114.535	H6	P2	H7	100.099
H6	P2	H8	100.099	H7	P2	H8	100.099

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

using model chemistry: B2PLYP=FULLultrafine/6-311G**

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/6-311G**

States and conformations

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