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	hartrees
Energy at 0K	-365.385635
Energy at 298.15K	-365.392179
HF Energy	-365.357307
Nuclear repulsion energy	58.914151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2912	2912	13.64
2	A₁	2878	2878	1.61
3	A₁	1377	1377	100.01
4	A₁	1206	1206	208.61
5	A₁	563	563	5.06
6	A₂	171	171	0.00
7	E	3089	3089	28.48
7	E	3089	3089	28.47
8	E	2934	2934	0.30
8	E	2934	2934	0.30
9	E	1458	1458	7.98
9	E	1458	1458	7.98
10	E	1337	1337	18.36
10	E	1337	1337	18.35
11	E	1030	1030	0.07
11	E	1030	1030	0.07
12	E	463	463	1.14
12	E	463	463	1.14

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.421
P2	0.000	0.000	0.568
H3	0.000	-1.135	-1.699
H4	-0.983	0.568	-1.699
H5	0.983	0.568	-1.699
H6	0.000	1.228	1.228
H7	-1.063	-0.614	1.228
H8	1.063	-0.614	1.228

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9889	1.1691	1.1691	1.1691	2.9201	2.9201	2.9201
P2	1.9889		2.5357	2.5357	2.5357	1.3943	1.3943	1.3943
H3	1.1691	2.5357		1.9667	1.9667	3.7627	3.1583	3.1583
H4	1.1691	2.5357	1.9667		1.9667	3.1583	3.1583	3.7627
H5	1.1691	2.5357	1.9667	1.9667		3.1583	3.7627	3.1583
H6	2.9201	1.3943	3.7627	3.1583	3.1583		2.1268	2.1268
H7	2.9201	1.3943	3.1583	3.1583	3.7627	2.1268		2.1268
H8	2.9201	1.3943	3.1583	3.7627	3.1583	2.1268	2.1268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.278	B1	P2	H7	118.278
B1	P2	H8	118.278	P2	B1	H3	103.778
P2	B1	H4	103.778	P2	B1	H5	103.778
H3	B1	H4	114.514	H3	B1	H5	114.514
H4	B1	H5	114.514	H6	P2	H7	99.401
H6	P2	H8	99.401	H7	P2	H8	99.401

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

using model chemistry: B2PLYP/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	-0.141
2	P	0.521
3	H	-0.097
4	H	-0.097
5	H	-0.097
6	H	-0.030
7	H	-0.030
8	H	-0.030

<r²>	50.691
(<r²>)^1/2	7.120

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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