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	hartrees
Energy at 0K	-369.548023
Energy at 298.15K	-369.554454
HF Energy	-369.548023
Nuclear repulsion energy	59.047426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2425	2400	22.17
2	A₁	2392	2367	48.40
3	A₁	1053	1042	0.89
4	A₁	987	977	168.95
5	A₁	553	547	6.05
6	A₂	247	245	0.00
7	E	2514	2488	84.22
7	E	2514	2488	84.23
8	E	2403	2378	18.45
8	E	2403	2378	18.46
9	E	1109	1098	5.40
9	E	1109	1098	5.40
10	E	1088	1077	1.83
10	E	1088	1077	1.83
11	E	803	794	5.38
11	E	803	794	5.38
12	E	363	359	0.26
12	E	363	359	0.26

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.380
P2	0.000	0.000	0.546
H3	0.000	-1.182	-1.663
H4	-1.024	0.591	-1.663
H5	1.024	0.591	-1.663
H6	0.000	1.247	1.233
H7	-1.080	-0.623	1.233
H8	1.080	-0.623	1.233

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9265	1.2158	1.2158	1.2158	2.8950	2.8950	2.8950
P2	1.9265		2.5062	2.5062	2.5062	1.4231	1.4231	1.4231
H3	1.2158	2.5062		2.0478	2.0478	3.7798	3.1409	3.1409
H4	1.2158	2.5062	2.0478		2.0478	3.1409	3.1409	3.7798
H5	1.2158	2.5062	2.0478	2.0478		3.1409	3.7798	3.1409
H6	2.8950	1.4231	3.7798	3.1409	3.1409		2.1594	2.1594
H7	2.8950	1.4231	3.1409	3.1409	3.7798	2.1594		2.1594
H8	2.8950	1.4231	3.1409	3.7798	3.1409	2.1594	2.1594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.830	B1	P2	H7	118.830
B1	P2	H8	118.830	P2	B1	H3	103.471
P2	B1	H4	103.471	P2	B1	H5	103.471
H3	B1	H4	114.746	H3	B1	H5	114.746
H4	B1	H5	114.746	H6	P2	H7	98.697
H6	P2	H8	98.697	H7	P2	H8	98.697

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.162
2	P	-0.121
3	H	-0.028
4	H	-0.028
5	H	-0.028
6	H	0.123
7	H	0.123
8	H	0.123

<r²>	50.604
(<r²>)^1/2	7.114

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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