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	hartrees
Energy at 0K	-369.732029
Energy at 298.15K	-369.738556
HF Energy	-369.732029
Nuclear repulsion energy	59.042393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2490	2386	42.39
2	A₁	2476	2373	42.06
3	A₁	1101	1055	1.10
4	A₁	1033	990	196.98
5	A₁	535	513	2.55
6	A₂	251	240	0.00
7	E	2565	2458	125.46
7	E	2565	2458	125.46
8	E	2501	2397	19.92
8	E	2501	2397	19.92
9	E	1152	1104	8.15
9	E	1152	1104	8.15
10	E	1135	1088	3.55
10	E	1135	1088	3.55
11	E	845	809	3.05
11	E	845	809	3.04
12	E	386	370	0.19
12	E	386	370	0.19

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.388
P2	0.000	0.000	0.553
H3	0.000	-1.175	-1.675
H4	-1.018	0.587	-1.675
H5	1.018	0.587	-1.675
H6	0.000	1.242	1.222
H7	-1.076	-0.621	1.222
H8	1.076	-0.621	1.222

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9406	1.2095	1.2095	1.2095	2.8903	2.8903	2.8903
P2	1.9406		2.5185	2.5185	2.5185	1.4110	1.4110	1.4110
H3	1.2095	2.5185		2.0352	2.0352	3.7728	3.1393	3.1393
H4	1.2095	2.5185	2.0352		2.0352	3.1393	3.1393	3.7728
H5	1.2095	2.5185	2.0352	2.0352		3.1393	3.7728	3.1393
H6	2.8903	1.4110	3.7728	3.1393	3.1393		2.1516	2.1516
H7	2.8903	1.4110	3.1393	3.1393	3.7728	2.1516		2.1516
H8	2.8903	1.4110	3.1393	3.7728	3.1393	2.1516	2.1516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.308	B1	P2	H7	118.308
B1	P2	H8	118.308	P2	B1	H3	103.724
P2	B1	H4	103.724	P2	B1	H5	103.724
H3	B1	H4	114.555	H3	B1	H5	114.555
H4	B1	H5	114.555	H6	P2	H7	99.363
H6	P2	H8	99.363	H7	P2	H8	99.363

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

using model chemistry: B3PW91/6-31G**

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	-0.195
2	P	0.247
3	H	-0.044
4	H	-0.044
5	H	-0.044
6	H	0.027
7	H	0.027
8	H	0.027

<r²>	50.958
(<r²>)^1/2	7.138

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

using model chemistry: B3PW91/6-31G**

States and conformations

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