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	hartrees
Energy at 0K	-369.771106
Energy at 298.15K	-369.777549
HF Energy	-369.771106
Nuclear repulsion energy	58.764208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2415	2407	27.12
2	A₁	2379	2371	58.30
3	A₁	1071	1068	13.96
4	A₁	1001	997	199.79
5	A₁	499	497	1.73
6	A₂	231	230	0.00
7	E	2483	2475	117.11
7	E	2483	2475	117.13
8	E	2390	2381	13.73
8	E	2390	2381	13.74
9	E	1129	1125	6.91
9	E	1129	1125	6.91
10	E	1100	1096	2.26
10	E	1100	1096	2.26
11	E	817	814	3.89
11	E	817	814	3.89
12	E	380	379	0.12
12	E	380	379	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		1.9530	1.2087	1.2087	1.2087	2.9085	2.9085	2.9085
P2	1.9530		2.5277	2.5277	2.5277	1.4186	1.4186	1.4186
H3	1.2087	2.5277		2.0345	2.0345	3.7883	3.1547	3.1547
H4	1.2087	2.5277	2.0345		2.0345	3.1547	3.1547	3.7883
H5	1.2087	2.5277	2.0345	2.0345		3.1547	3.7883	3.1547
H6	2.9085	1.4186	3.7883	3.1547	3.1547		2.1621	2.1621
H7	2.9085	1.4186	3.1547	3.1547	3.7883	2.1621		2.1621
H8	2.9085	1.4186	3.1547	3.7883	3.1547	2.1621	2.1621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.365	B1	P2	H7	118.365
B1	P2	H8	118.365	P2	B1	H3	103.642
P2	B1	H4	103.642	P2	B1	H5	103.642
H3	B1	H4	114.617	H3	B1	H5	114.617
H4	B1	H5	114.617	H6	P2	H7	99.291
H6	P2	H8	99.291	H7	P2	H8	99.291

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

using model chemistry: BLYP/aug-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	0.573
2	P	0.315
3	H	-0.234
4	H	-0.234
5	H	-0.234
6	H	-0.062
7	H	-0.062
8	H	-0.062

<r²>	51.815
(<r²>)^1/2	7.198

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

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

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