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	hartrees
Energy at 0K	-369.654860
Energy at 298.15K	-369.661207
HF Energy	-369.654860
Nuclear repulsion energy	57.777671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2534	2534	35.71
2	A₁	2416	2416	47.21
3	A₁	1121	1121	95.51
4	A₁	987	987	116.93
5	A₁	469	469	3.20
6	A₂	199	199	0.00
7	E	2622	2622	130.08
7	E	2622	2622	130.41
8	E	2440	2440	36.19
8	E	2440	2440	35.24
9	E	1181	1181	3.37
9	E	1181	1181	3.44
10	E	1127	1127	9.88
10	E	1127	1127	9.76
11	E	866	866	0.12
11	E	866	866	0.13
12	E	354	354	0.05
12	E	354	354	0.05

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.445
P2	0.000	0.000	0.579
H3	0.000	-1.171	-1.722
H4	-1.014	0.586	-1.722
H5	1.014	0.586	-1.722
H6	0.000	1.260	1.236
H7	-1.091	-0.630	1.236
H8	1.091	-0.630	1.236

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.0241	1.2037	1.2037	1.2037	2.9626	2.9626	2.9626
P2	2.0241		2.5818	2.5818	2.5818	1.4212	1.4212	1.4212
H3	1.2037	2.5818		2.0290	2.0290	3.8290	3.1989	3.1989
H4	1.2037	2.5818	2.0290		2.0290	3.1989	3.1989	3.8290
H5	1.2037	2.5818	2.0290	2.0290		3.1989	3.8290	3.1989
H6	2.9626	1.4212	3.8290	3.1989	3.1989		2.1826	2.1826
H7	2.9626	1.4212	3.1989	3.1989	3.8290	2.1826		2.1826
H8	2.9626	1.4212	3.1989	3.8290	3.1989	2.1826	2.1826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.542	B1	P2	H7	117.542
B1	P2	H8	117.542	P2	B1	H3	103.285
P2	B1	H4	103.285	P2	B1	H5	103.285
H3	B1	H4	114.884	H3	B1	H5	114.884
H4	B1	H5	114.884	H6	P2	H7	100.328
H6	P2	H8	100.328	H7	P2	H8	100.328

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

using model chemistry: M06-2X/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	-0.144
2	P	0.207
3	H	-0.048
4	H	-0.048
5	H	-0.048
6	H	0.027
7	H	0.027
8	H	0.027

	x	y	z
x	5.184	0.000	0.000
y	0.000	5.186	-0.003
z	0.000	-0.003	6.920

<r²>	53.368
(<r²>)^1/2	7.305

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

using model chemistry: M06-2X/6-31G

States and conformations

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