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	hartrees
Energy at 0K	-369.557040
Energy at 298.15K	-369.563592
HF Energy	-369.489549
Nuclear repulsion energy	58.896707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2546	2417	38.00
2	A₁	2517	2389	47.78
3	A₁	1139	1082	9.53
4	A₁	1067	1013	226.93
5	A₁	512	486	0.27
6	A₂	250	238	0.00
7	E	2601	2468	147.20
7	E	2601	2468	147.23
8	E	2557	2427	15.48
8	E	2557	2427	15.50
9	E	1187	1127	9.49
9	E	1187	1127	9.50
10	E	1164	1105	6.05
10	E	1164	1105	6.05
11	E	874	830	2.76
11	E	874	830	2.76
12	E	394	374	0.90
12	E	394	374	0.90

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.398
P2	0.000	0.000	0.559
H3	0.000	-1.172	-1.683
H4	-1.015	0.586	-1.683
H5	1.015	0.586	-1.683
H6	0.000	1.240	1.221
H7	-1.074	-0.620	1.221
H8	1.074	-0.620	1.221

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9572	1.2066	1.2066	1.2066	2.8980	2.8980	2.8980
P2	1.9572		2.5302	2.5302	2.5302	1.4058	1.4058	1.4058
H3	1.2066	2.5302		2.0308	2.0308	3.7756	3.1453	3.1453
H4	1.2066	2.5302	2.0308		2.0308	3.1453	3.1453	3.7756
H5	1.2066	2.5302	2.0308	2.0308		3.1453	3.7756	3.1453
H6	2.8980	1.4058	3.7756	3.1453	3.1453		2.1481	2.1481
H7	2.8980	1.4058	3.1453	3.1453	3.7756	2.1481		2.1481
H8	2.8980	1.4058	3.1453	3.7756	3.1453	2.1481	2.1481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.096	B1	P2	H7	118.096
B1	P2	H8	118.096	P2	B1	H3	103.660
P2	B1	H4	103.660	P2	B1	H5	103.660
H3	B1	H4	114.604	H3	B1	H5	114.604
H4	B1	H5	114.604	H6	P2	H7	99.632
H6	P2	H8	99.632	H7	P2	H8	99.632

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

using model chemistry: B2PLYP/6-31G*

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	-0.190
2	P	0.188
3	H	-0.044
4	H	-0.044
5	H	-0.044
6	H	0.044
7	H	0.044
8	H	0.044

<r²>	51.486
(<r²>)^1/2	7.175

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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