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	hartrees
Energy at 0K	-369.793760
Energy at 298.15K	-369.800264
HF Energy	-369.793760
Nuclear repulsion energy	58.774976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2482	2384	11.20
2	A₁	2475	2378	72.73
3	A₁	1113	1070	5.61
4	A₁	1044	1003	217.19
5	A₁	498	478	0.53
6	A₂	246	237	0.00
7	E	2562	2461	130.86
7	E	2562	2461	130.85
8	E	2486	2388	24.84
8	E	2486	2388	24.85
9	E	1165	1120	8.00
9	E	1165	1120	8.00
10	E	1141	1096	5.35
10	E	1141	1096	5.35
11	E	851	818	3.12
11	E	851	818	3.12
12	E	386	371	0.31
12	E	386	371	0.30

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.402
P2	0.000	0.000	0.558
H3	0.000	-1.174	-1.684
H4	-1.016	0.587	-1.684
H5	1.016	0.587	-1.684
H6	0.000	1.242	1.228
H7	-1.076	-0.621	1.228
H8	1.076	-0.621	1.228

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9605	1.2070	1.2070	1.2070	2.9091	2.9091	2.9091
P2	1.9605		2.5309	2.5309	2.5309	1.4114	1.4114	1.4114
H3	1.2070	2.5309		2.0328	2.0328	3.7839	3.1535	3.1535
H4	1.2070	2.5309	2.0328		2.0328	3.1535	3.1535	3.7839
H5	1.2070	2.5309	2.0328	2.0328		3.1535	3.7839	3.1535
H6	2.9091	1.4114	3.7839	3.1535	3.1535		2.1516	2.1516
H7	2.9091	1.4114	3.1535	3.1535	3.7839	2.1516		2.1516
H8	2.9091	1.4114	3.1535	3.7839	3.1535	2.1516	2.1516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.342	B1	P2	H7	118.342
B1	P2	H8	118.342	P2	B1	H3	103.503
P2	B1	H4	103.503	P2	B1	H5	103.503
H3	B1	H4	114.723	H3	B1	H5	114.723
H4	B1	H5	114.723	H6	P2	H7	99.319
H6	P2	H8	99.319	H7	P2	H8	99.319

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

using model chemistry: B3LYP/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	-0.097
2	P	0.256
3	H	-0.068
4	H	-0.068
5	H	-0.068
6	H	0.015
7	H	0.015
8	H	0.015

<r²>	51.446
(<r²>)^1/2	7.173

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

using model chemistry: B3LYP/6-31G**

States and conformations

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