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	hartrees
Energy at 0K	-369.762866
Energy at 298.15K	-369.769397
HF Energy	-369.762866
Nuclear repulsion energy	59.141862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2471	2380	45.28
2	A₁	2450	2360	38.60
3	A₁	1092	1052	1.72
4	A₁	1021	983	206.40
5	A₁	539	519	2.92
6	A₂	243	234	0.00
7	E	2534	2440	128.57
7	E	2534	2440	128.58
8	E	2480	2389	6.72
8	E	2480	2389	6.73
9	E	1143	1101	8.86
9	E	1143	1101	8.86
10	E	1127	1085	1.38
10	E	1127	1085	1.38
11	E	839	808	2.91
11	E	839	808	2.91
12	E	389	375	0.57
12	E	389	375	0.57

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.382
P2	0.000	0.000	0.552
H3	0.000	-1.173	-1.671
H4	-1.016	0.587	-1.671
H5	1.016	0.587	-1.671
H6	0.000	1.246	1.216
H7	-1.079	-0.623	1.216
H8	1.079	-0.623	1.216

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9335	1.2084	1.2084	1.2084	2.8813	2.8813	2.8813
P2	1.9335		2.5131	2.5131	2.5131	1.4121	1.4121	1.4121
H3	1.2084	2.5131		2.0323	2.0323	3.7666	3.1307	3.1307
H4	1.2084	2.5131	2.0323		2.0323	3.1307	3.1307	3.7666
H5	1.2084	2.5131	2.0323	2.0323		3.1307	3.7666	3.1307
H6	2.8813	1.4121	3.7666	3.1307	3.1307		2.1581	2.1581
H7	2.8813	1.4121	3.1307	3.1307	3.7666	2.1581		2.1581
H8	2.8813	1.4121	3.1307	3.7666	3.1307	2.1581	2.1581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.070	B1	P2	H7	118.070
B1	P2	H8	118.070	P2	B1	H3	103.830
P2	B1	H4	103.830	P2	B1	H5	103.830
H3	B1	H4	114.474	H3	B1	H5	114.474
H4	B1	H5	114.474	H6	P2	H7	99.665
H6	P2	H8	99.665	H7	P2	H8	99.665

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

using model chemistry: B3PW91/6-311G**

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	-0.412
2	P	0.326
3	H	-0.006
4	H	-0.006
5	H	-0.006
6	H	0.034
7	H	0.034
8	H	0.034

<r²>	51.165
(<r²>)^1/2	7.153

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

using model chemistry: B3PW91/6-311G**

States and conformations

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