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	hartrees
Energy at 0K	-365.380937
Energy at 298.15K	-365.387445
HF Energy	-365.380937
Nuclear repulsion energy	59.166104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2816	2572	5.64
2	A₁	2742	2505	18.45
3	A₁	1306	1194	48.65
4	A₁	1156	1057	187.28
5	A₁	594	542	0.24
6	A₂	190	174	0.00
7	E	2983	2726	18.78
7	E	2983	2726	18.78
8	E	2797	2555	3.02
8	E	2797	2555	3.02
9	E	1386	1266	3.37
9	E	1386	1266	3.37
10	E	1266	1157	12.44
10	E	1266	1157	12.44
11	E	985	900	1.20
11	E	985	900	1.20
12	E	447	408	0.12
12	E	447	408	0.12

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.394
P2	0.000	0.000	0.555
H3	0.000	-1.140	-1.684
H4	-0.988	0.570	-1.684
H5	0.988	0.570	-1.684
H6	0.000	1.238	1.232
H7	-1.072	-0.619	1.232
H8	1.072	-0.619	1.232

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9487	1.1768	1.1768	1.1768	2.9034	2.9034	2.9034
P2	1.9487		2.5129	2.5129	2.5129	1.4115	1.4115	1.4115
H3	1.1768	2.5129		1.9751	1.9751	3.7636	3.1510	3.1510
H4	1.1768	2.5129	1.9751		1.9751	3.1510	3.1510	3.7636
H5	1.1768	2.5129	1.9751	1.9751		3.1510	3.7636	3.1510
H6	2.9034	1.4115	3.7636	3.1510	3.1510		2.1449	2.1449
H7	2.9034	1.4115	3.1510	3.1510	3.7636	2.1449		2.1449
H8	2.9034	1.4115	3.1510	3.7636	3.1510	2.1449	2.1449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.679	B1	P2	H7	118.679
B1	P2	H8	118.679	P2	B1	H3	104.296
P2	B1	H4	104.296	P2	B1	H5	104.296
H3	B1	H4	114.113	H3	B1	H5	114.113
H4	B1	H5	114.113	H6	P2	H7	98.891
H6	P2	H8	98.891	H7	P2	H8	98.891

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

using model chemistry: PBEPBE/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	-0.215
2	P	0.467
3	H	-0.075
4	H	-0.075
5	H	-0.075
6	H	-0.009
7	H	-0.009
8	H	-0.009

<r²>	49.863
(<r²>)^1/2	7.061

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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