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	hartrees
Energy at 0K	-369.714585
Energy at 298.15K	-369.721081
HF Energy	-369.714585
Nuclear repulsion energy	58.014756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2499	2384	37.19
2	A₁	2410	2298	63.93
3	A₁	1114	1063	65.58
4	A₁	1006	960	126.39
5	A₁	484	461	0.75
6	A₂	221	210	0.00
7	E	2590	2470	141.07
7	E	2590	2470	141.12
8	E	2439	2326	36.68
8	E	2439	2326	36.70
9	E	1169	1115	2.83
9	E	1169	1115	2.83
10	E	1131	1078	8.02
10	E	1131	1078	8.02
11	E	866	826	0.24
11	E	866	826	0.24
12	E	405	387	0.01
12	E	405	387	0.01

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.429
P2	0.000	0.000	0.573
H3	0.000	-1.171	-1.717
H4	-1.014	0.586	-1.717
H5	1.014	0.586	-1.717
H6	0.000	1.260	1.234
H7	-1.091	-0.630	1.234
H8	1.091	-0.630	1.234

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.0020	1.2060	1.2060	1.2060	2.9460	2.9460	2.9460
P2	2.0020		2.5719	2.5719	2.5719	1.4229	1.4229	1.4229
H3	1.2060	2.5719		2.0284	2.0284	3.8233	3.1923	3.1923
H4	1.2060	2.5719	2.0284		2.0284	3.1923	3.1923	3.8233
H5	1.2060	2.5719	2.0284	2.0284		3.1923	3.8233	3.1923
H6	2.9460	1.4229	3.8233	3.1923	3.1923		2.1826	2.1826
H7	2.9460	1.4229	3.1923	3.1923	3.8233	2.1826		2.1826
H8	2.9460	1.4229	3.1923	3.8233	3.1923	2.1826	2.1826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.676	B1	P2	H7	117.676
B1	P2	H8	117.676	P2	B1	H3	103.810
P2	B1	H4	103.810	P2	B1	H5	103.810
H3	B1	H4	114.490	H3	B1	H5	114.490
H4	B1	H5	114.490	H6	P2	H7	100.160
H6	P2	H8	100.160	H7	P2	H8	100.160

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

using model chemistry: B1B95/6-31G

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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Number	Element	Mulliken
1	B	-0.188
2	P	0.194
3	H	-0.038
4	H	-0.038
5	H	-0.038
6	H	0.036
7	H	0.036
8	H	0.036

<r²>	52.834
(<r²>)^1/2	7.269

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

using model chemistry: B1B95/6-31G

States and conformations

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