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	hartrees
Energy at 0K	-369.771253
Energy at 298.15K	-369.777676
HF Energy	-369.771253
Nuclear repulsion energy	58.764152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2414	2414	27.27
2	A₁	2380	2380	58.25
3	A₁	1071	1071	13.62
4	A₁	1001	1001	200.04
5	A₁	498	498	1.74
6	A₂	231	231	0.00
7	E	2482	2482	117.24
7	E	2482	2482	117.27
8	E	2390	2390	13.65
8	E	2390	2390	13.65
9	E	1129	1129	6.92
9	E	1129	1129	6.92
10	E	1100	1100	2.25
10	E	1100	1100	2.25
11	E	816	816	3.87
11	E	816	816	3.87
12	E	380	380	0.12
12	E	380	380	0.12

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.397
P2	0.000	0.000	0.556
H3	0.000	-1.175	-1.682
H4	-1.017	0.587	-1.682
H5	1.017	0.587	-1.682
H6	0.000	1.248	1.230
H7	-1.081	-0.624	1.230
H8	1.081	-0.624	1.230

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9531	1.2087	1.2087	1.2087	2.9086	2.9086	2.9086
P2	1.9531		2.5277	2.5277	2.5277	1.4186	1.4186	1.4186
H3	1.2087	2.5277		2.0345	2.0345	3.7883	3.1548	3.1548
H4	1.2087	2.5277	2.0345		2.0345	3.1548	3.1548	3.7883
H5	1.2087	2.5277	2.0345	2.0345		3.1548	3.7883	3.1548
H6	2.9086	1.4186	3.7883	3.1548	3.1548		2.1620	2.1620
H7	2.9086	1.4186	3.1548	3.1548	3.7883	2.1620		2.1620
H8	2.9086	1.4186	3.1548	3.7883	3.1548	2.1620	2.1620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.369	B1	P2	H7	118.369
B1	P2	H8	118.369	P2	B1	H3	103.642
P2	B1	H4	103.642	P2	B1	H5	103.642
H3	B1	H4	114.618	H3	B1	H5	114.618
H4	B1	H5	114.618	H6	P2	H7	99.285
H6	P2	H8	99.285	H7	P2	H8	99.285

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

using model chemistry: BLYP/daug-cc-pVTZ

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	1.497
2	P	0.670
3	H	-0.391
4	H	-0.391
5	H	-0.391
6	H	-0.331
7	H	-0.331
8	H	-0.331

<r²>	51.816
(<r²>)^1/2	7.198

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

using model chemistry: BLYP/daug-cc-pVTZ

States and conformations

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