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	hartrees
Energy at 0K	-369.812407
Energy at 298.15K
HF Energy	-369.812407
Nuclear repulsion energy	59.099923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2406	2406	51.53
2	A₁	2384	2384	34.65
3	A₁	1070	1070	2.77
4	A₁	1002	1002	204.16
5	A₁	518	518	3.23
6	A₂	237	237	0.00
7	E	2464	2464	126.55
7	E	2464	2464	126.61
8	E	2414	2414	6.12
8	E	2414	2414	6.12
9	E	1127	1127	7.64
9	E	1127	1127	7.65
10	E	1104	1104	1.50
10	E	1104	1104	1.50
11	E	816	816	3.75
11	E	816	816	3.74
12	E	370	370	0.04
12	E	370	370	0.04

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.384
P2	0.000	0.000	0.551
H3	0.000	-1.179	-1.669
H4	-1.021	0.589	-1.669
H5	1.021	0.589	-1.669
H6	0.000	1.244	1.219
H7	-1.077	-0.622	1.219
H8	1.077	-0.622	1.219

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9347	1.2128	1.2128	1.2128	2.8847	2.8847	2.8847
P2	1.9347		2.5134	2.5134	2.5134	1.4119	1.4119	1.4119
H3	1.2128	2.5134		2.0418	2.0418	3.7695	3.1321	3.1321
H4	1.2128	2.5134	2.0418		2.0418	3.1321	3.1321	3.7695
H5	1.2128	2.5134	2.0418	2.0418		3.1321	3.7695	3.1321
H6	2.8847	1.4119	3.7695	3.1321	3.1321		2.1545	2.1545
H7	2.8847	1.4119	3.1321	3.1321	3.7695	2.1545		2.1545
H8	2.8847	1.4119	3.1321	3.7695	3.1321	2.1545	2.1545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.236	B1	P2	H7	118.236
B1	P2	H8	118.236	P2	B1	H3	103.597
P2	B1	H4	103.597	P2	B1	H5	103.597
H3	B1	H4	114.652	H3	B1	H5	114.652
H4	B1	H5	114.652	H6	P2	H7	99.454
H6	P2	H8	99.454	H7	P2	H8	99.454

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

using model chemistry: B97D3/cc-pV(T+d)Z

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	-0.363
2	P	0.298
3	H	-0.002
4	H	-0.002
5	H	-0.002
6	H	0.024
7	H	0.024
8	H	0.024

<r²>	51.075
(<r²>)^1/2	7.147

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

using model chemistry: B97D3/cc-pV(T+d)Z

States and conformations

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