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	hartrees
Energy at 0K	-369.799354
Energy at 298.15K	-369.805833
HF Energy	-369.799354
Nuclear repulsion energy	58.949691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2474	2387	25.75
2	A₁	2458	2372	48.04
3	A₁	1107	1068	14.62
4	A₁	1035	998	203.97
5	A₁	504	486	1.12
6	A₂	241	232	0.00
7	E	2554	2464	113.58
7	E	2554	2464	113.58
8	E	2468	2381	16.92
8	E	2468	2381	16.93
9	E	1162	1122	7.64
9	E	1162	1122	7.64
10	E	1135	1095	3.69
10	E	1135	1095	3.69
11	E	839	810	4.88
11	E	839	810	4.88
12	E	377	364	0.01
12	E	377	364	0.01

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.395
P2	0.000	0.000	0.555
H3	0.000	-1.174	-1.675
H4	-1.016	0.587	-1.675
H5	1.016	0.587	-1.675
H6	0.000	1.241	1.226
H7	-1.074	-0.620	1.226
H8	1.074	-0.620	1.226

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9503	1.2064	1.2064	1.2064	2.9001	2.9001	2.9001
P2	1.9503		2.5197	2.5197	2.5197	1.4106	1.4106	1.4106
H3	1.2064	2.5197		2.0328	2.0328	3.7741	3.1425	3.1425
H4	1.2064	2.5197	2.0328		2.0328	3.1425	3.1425	3.7741
H5	1.2064	2.5197	2.0328	2.0328		3.1425	3.7741	3.1425
H6	2.9001	1.4106	3.7741	3.1425	3.1425		2.1490	2.1490
H7	2.9001	1.4106	3.1425	3.1425	3.7741	2.1490		2.1490
H8	2.9001	1.4106	3.1425	3.7741	3.1425	2.1490	2.1490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.407	B1	P2	H7	118.407
B1	P2	H8	118.407	P2	B1	H3	103.394
P2	B1	H4	103.394	P2	B1	H5	103.394
H3	B1	H4	114.804	H3	B1	H5	114.804
H4	B1	H5	114.804	H6	P2	H7	99.237
H6	P2	H8	99.237	H7	P2	H8	99.236

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

using model chemistry: B3LYP/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	-0.082
2	P	-0.061
3	H	-0.056
4	H	-0.056
5	H	-0.056
6	H	0.104
7	H	0.104
8	H	0.104

<r²>	51.027
(<r²>)^1/2	7.143

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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