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	hartrees
Energy at 0K	-12.538771
Energy at 298.15K	-12.545034
HF Energy	-12.419988
Nuclear repulsion energy	20.527161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2403	2322	72.05
2	A₁	2355	2276	74.99
3	A₁	1111	1074	80.45
4	A₁	1005	971	194.89
5	A₁	394	381	26.69
6	A₂	181	175	0.00
7	E	2526	2441	240.85
7	E	2526	2441	240.85
8	E	2403	2322	54.16
8	E	2403	2322	54.16
9	E	1152	1113	9.23
9	E	1152	1113	9.23
10	E	1123	1085	8.57
10	E	1123	1085	8.57
11	E	859	830	0.03
11	E	859	830	0.03
12	E	365	353	0.04
12	E	365	353	0.04

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.511
P2	0.000	0.000	0.604
H3	0.000	-1.198	-1.779
H4	-1.037	0.599	-1.779
H5	1.037	0.599	-1.779
H6	0.000	1.273	1.277
H7	-1.103	-0.637	1.277
H8	1.103	-0.637	1.277

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.1153	1.2273	1.2273	1.2273	3.0650	3.0650	3.0650
P2	2.1153		2.6673	2.6673	2.6673	1.4400	1.4400	1.4400
H3	1.2273	2.6673		2.0745	2.0745	3.9299	3.2969	3.2969
H4	1.2273	2.6673	2.0745		2.0745	3.2969	3.2969	3.9299
H5	1.2273	2.6673	2.0745	2.0745		3.2969	3.9299	3.2969
H6	3.0650	1.4400	3.9299	3.2969	3.2969		2.2053	2.2053
H7	3.0650	1.4400	3.2969	3.2969	3.9299	2.2053		2.2053
H8	3.0650	1.4400	3.2969	3.9299	3.2969	2.2053	2.2053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.850	B1	P2	H7	117.850
B1	P2	H8	117.850	P2	B1	H3	102.609
P2	B1	H4	102.609	P2	B1	H5	102.609
H3	B1	H4	115.373	H3	B1	H5	115.373
H4	B1	H5	115.373	H6	P2	H7	99.942
H6	P2	H8	99.942	H7	P2	H8	99.942

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

using model chemistry: MP2/CEP-31G

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: MP2/CEP-31G

States and conformations

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