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	hartrees
Energy at 0K	-365.615506
Energy at 298.15K	-365.622037
HF Energy	-365.615506
Nuclear repulsion energy	59.218545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2903	2903	10.22
2	A₁	2861	2861	1.93
3	A₁	1364	1364	83.62
4	A₁	1190	1190	181.52
5	A₁	588	588	1.17
6	A₂	163	163	0.00
7	E	3080	3080	24.23
7	E	3080	3080	24.28
8	E	2912	2912	0.02
8	E	2912	2912	0.02
9	E	1441	1441	5.13
9	E	1441	1441	5.12
10	E	1322	1322	15.74
10	E	1322	1322	15.72
11	E	1022	1022	0.20
11	E	1022	1022	0.20
12	E	459	459	0.52
12	E	459	459	0.52

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.405
P2	0.000	0.000	0.562
H3	0.000	-1.134	-1.689
H4	-0.982	0.567	-1.689
H5	0.982	0.567	-1.689
H6	0.000	1.230	1.219
H7	-1.065	-0.615	1.219
H8	1.065	-0.615	1.219

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9670	1.1694	1.1694	1.1694	2.8976	2.8976	2.8976
P2	1.9670		2.5209	2.5209	2.5209	1.3942	1.3942	1.3942
H3	1.1694	2.5209		1.9648	1.9648	3.7477	3.1400	3.1400
H4	1.1694	2.5209	1.9648		1.9648	3.1400	3.1400	3.7477
H5	1.1694	2.5209	1.9648	1.9648		3.1400	3.7477	3.1400
H6	2.8976	1.3942	3.7477	3.1400	3.1400		2.1303	2.1303
H7	2.8976	1.3942	3.1400	3.1400	3.7477	2.1303		2.1303
H8	2.8976	1.3942	3.1400	3.7477	3.1400	2.1303	2.1303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.096	B1	P2	H7	118.096
B1	P2	H8	118.096	P2	B1	H3	104.067
P2	B1	H4	104.067	P2	B1	H5	104.067
H3	B1	H4	114.292	H3	B1	H5	114.292
H4	B1	H5	114.292	H6	P2	H7	99.632
H6	P2	H8	99.632	H7	P2	H8	99.632

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

using model chemistry: wB97X-D/STO-3G

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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Number	Element	Mulliken
1	B	-0.176
2	P	0.485
3	H	-0.087
4	H	-0.087
5	H	-0.087
6	H	-0.016
7	H	-0.016
8	H	-0.016

<r²>	50.081
(<r²>)^1/2	7.077

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

using model chemistry: wB97X-D/STO-3G

States and conformations

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