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	hartrees
Energy at 0K	-369.586123
Energy at 298.15K	-369.592577
HF Energy	-369.586123
Nuclear repulsion energy	59.300661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2410	2410	21.93
2	A₁	2391	2391	49.83
3	A₁	1049	1049	0.14
4	A₁	982	982	172.06
5	A₁	567	567	8.80
6	A₂	245	245	0.00
7	E	2493	2493	92.23
7	E	2493	2493	92.24
8	E	2400	2400	11.77
8	E	2400	2400	11.78
9	E	1104	1104	5.07
9	E	1104	1104	5.07
10	E	1085	1085	1.24
10	E	1085	1085	1.24
11	E	802	802	4.72
11	E	802	802	4.72
12	E	372	372	0.02
12	E	372	372	0.02

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.369
P2	0.000	0.000	0.544
H3	0.000	-1.179	-1.659
H4	-1.021	0.589	-1.659
H5	1.021	0.589	-1.659
H6	0.000	1.247	1.221
H7	-1.080	-0.624	1.221
H8	1.080	-0.624	1.221

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9133	1.2140	1.2140	1.2140	2.8751	2.8751	2.8751
P2	1.9133		2.4985	2.4985	2.4985	1.4193	1.4193	1.4193
H3	1.2140	2.4985		2.0420	2.0420	3.7658	3.1256	3.1256
H4	1.2140	2.4985	2.0420		2.0420	3.1256	3.1256	3.7658
H5	1.2140	2.4985	2.0420	2.0420		3.1256	3.7658	3.1256
H6	2.8751	1.4193	3.7658	3.1256	3.1256		2.1607	2.1607
H7	2.8751	1.4193	3.1256	3.1256	3.7658	2.1607		2.1607
H8	2.8751	1.4193	3.1256	3.7658	3.1256	2.1607	2.1607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.490	B1	P2	H7	118.490
B1	P2	H8	118.490	P2	B1	H3	103.801
P2	B1	H4	103.801	P2	B1	H5	103.801
H3	B1	H4	114.496	H3	B1	H5	114.496
H4	B1	H5	114.496	H6	P2	H7	99.131
H6	P2	H8	99.131	H7	P2	H8	99.131

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

using model chemistry: PBEPBEultrafine/Def2TZVPP

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	-0.294
2	P	0.110
3	H	-0.000
4	H	-0.000
5	H	-0.000
6	H	0.062
7	H	0.062
8	H	0.062

<r²>	50.711
(<r²>)^1/2	7.121

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

using model chemistry: PBEPBEultrafine/Def2TZVPP

States and conformations

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