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	hartrees
Energy at 0K	-369.727566
Energy at 298.15K	-369.733970
HF Energy	-369.727566
Nuclear repulsion energy	58.597272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2427	2413	27.15
2	A₁	2375	2362	51.50
3	A₁	1077	1071	7.81
4	A₁	1009	1004	202.61
5	A₁	487	485	1.19
6	A₂	238	236	0.00
7	E	2503	2489	104.87
7	E	2503	2489	104.86
8	E	2385	2371	23.32
8	E	2385	2371	23.33
9	E	1132	1126	7.11
9	E	1132	1126	7.12
10	E	1102	1096	2.95
10	E	1102	1096	2.95
11	E	815	811	4.77
11	E	815	811	4.77
12	E	367	365	0.03
12	E	367	365	0.03

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.405
P2	0.000	0.000	0.556
H3	0.000	-1.180	-1.683
H4	-1.022	0.590	-1.683
H5	1.022	0.590	-1.683
H6	0.000	1.246	1.241
H7	-1.079	-0.623	1.241
H8	1.079	-0.623	1.241

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9611	1.2120	1.2120	1.2120	2.9244	2.9244	2.9244
P2	1.9611		2.5308	2.5308	2.5308	1.4214	1.4214	1.4214
H3	1.2120	2.5308		2.0433	2.0433	3.7987	3.1658	3.1658
H4	1.2120	2.5308	2.0433		2.0433	3.1658	3.1658	3.7987
H5	1.2120	2.5308	2.0433	2.0433		3.1658	3.7987	3.1658
H6	2.9244	1.4214	3.7987	3.1658	3.1658		2.1574	2.1574
H7	2.9244	1.4214	3.1658	3.1658	3.7987	2.1574		2.1574
H8	2.9244	1.4214	3.1658	3.7987	3.1658	2.1574	2.1574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.801	B1	P2	H7	118.801
B1	P2	H8	118.801	P2	B1	H3	103.255
P2	B1	H4	103.255	P2	B1	H5	103.255
H3	B1	H4	114.907	H3	B1	H5	114.907
H4	B1	H5	114.907	H6	P2	H7	98.734
H6	P2	H8	98.734	H7	P2	H8	98.734

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

using model chemistry: BLYP/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	-0.030
2	P	-0.093
3	H	-0.061
4	H	-0.061
5	H	-0.061
6	H	0.102
7	H	0.102
8	H	0.102

<r²>	51.448
(<r²>)^1/2	7.173

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

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

States and conformations

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