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	hartrees
Energy at 0K	-369.637699
Energy at 298.15K	-369.644231
HF Energy	-369.637699
Nuclear repulsion energy	59.212373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2477	2379	43.69
2	A₁	2453	2356	35.88
3	A₁	1090	1047	1.72
4	A₁	1019	979	200.66
5	A₁	549	527	3.42
6	A₂	244	235	0.00
7	E	2538	2438	125.91
7	E	2538	2438	125.95
8	E	2486	2388	5.53
8	E	2486	2388	5.54
9	E	1142	1097	8.85
9	E	1142	1097	8.84
10	E	1126	1082	0.99
10	E	1126	1082	0.99
11	E	839	806	3.11
11	E	839	806	3.11
12	E	386	370	0.61
12	E	386	370	0.61

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.378
P2	0.000	0.000	0.550
H3	0.000	-1.174	-1.667
H4	-1.017	0.587	-1.667
H5	1.017	0.587	-1.667
H6	0.000	1.246	1.214
H7	-1.079	-0.623	1.214
H8	1.079	-0.623	1.214

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9286	1.2091	1.2091	1.2091	2.8763	2.8763	2.8763
P2	1.9286		2.5090	2.5090	2.5090	1.4120	1.4120	1.4120
H3	1.2091	2.5090		2.0336	2.0336	3.7628	3.1255	3.1255
H4	1.2091	2.5090	2.0336		2.0336	3.1255	3.1255	3.7628
H5	1.2091	2.5090	2.0336	2.0336		3.1255	3.7628	3.1255
H6	2.8763	1.4120	3.7628	3.1255	3.1255		2.1589	2.1589
H7	2.8763	1.4120	3.1255	3.1255	3.7628	2.1589		2.1589
H8	2.8763	1.4120	3.1255	3.7628	3.1255	2.1589	2.1589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.030	B1	P2	H7	118.030
B1	P2	H8	118.030	P2	B1	H3	103.818
P2	B1	H4	103.818	P2	B1	H5	103.818
H3	B1	H4	114.484	H3	B1	H5	114.484
H4	B1	H5	114.484	H6	P2	H7	99.715
H6	P2	H8	99.715	H7	P2	H8	99.715

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

using model chemistry: HSEh1PBE/6-311G**

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	-0.431
2	P	0.321
3	H	-0.000
4	H	-0.000
5	H	-0.000
6	H	0.037
7	H	0.037
8	H	0.037

<r²>	51.099
(<r²>)^1/2	7.148

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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