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	hartrees
Energy at 0K	-365.466142
Energy at 298.15K	-365.472705
HF Energy	-365.466142
Nuclear repulsion energy	59.398638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2901	2562	8.34
2	A₁	2855	2521	5.37
3	A₁	1355	1196	69.63
4	A₁	1184	1046	181.68
5	A₁	601	530	0.20
6	A₂	181	160	0.00
7	E	3076	2717	21.34
7	E	3076	2717	21.33
8	E	2910	2570	0.40
8	E	2910	2570	0.40
9	E	1435	1267	4.19
9	E	1435	1267	4.19
10	E	1311	1158	14.64
10	E	1311	1158	14.64
11	E	1019	900	0.59
11	E	1019	900	0.59
12	E	462	408	0.32
12	E	462	408	0.32

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.394
P2	0.000	0.000	0.557
H3	0.000	-1.133	-1.682
H4	-0.981	0.566	-1.682
H5	0.981	0.566	-1.682
H6	0.000	1.231	1.219
H7	-1.066	-0.616	1.219
H8	1.066	-0.616	1.219

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9511	1.1686	1.1686	1.1686	2.8887	2.8887	2.8887
P2	1.9511		2.5091	2.5091	2.5091	1.3979	1.3979	1.3979
H3	1.1686	2.5091		1.9617	1.9617	3.7421	3.1338	3.1338
H4	1.1686	2.5091	1.9617		1.9617	3.1338	3.1338	3.7421
H5	1.1686	2.5091	1.9617	1.9617		3.1338	3.7421	3.1338
H6	2.8887	1.3979	3.7421	3.1338	3.1338		2.1324	2.1324
H7	2.8887	1.3979	3.1338	3.1338	3.7421	2.1324		2.1324
H8	2.8887	1.3979	3.1338	3.7421	3.1338	2.1324	2.1324

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.274	B1	P2	H7	118.274
B1	P2	H8	118.274	P2	B1	H3	104.261
P2	B1	H4	104.261	P2	B1	H5	104.261
H3	B1	H4	114.140	H3	B1	H5	114.140
H4	B1	H5	114.140	H6	P2	H7	99.407
H6	P2	H8	99.407	H7	P2	H8	99.407

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

using model chemistry: HSEh1PBE/STO-3G

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	-0.202
2	P	0.477
3	H	-0.080
4	H	-0.080
5	H	-0.080
6	H	-0.011
7	H	-0.011
8	H	-0.011

<r²>	49.716
(<r²>)^1/2	7.051

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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