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	hartrees
Energy at 0K	-369.138965
Energy at 298.15K	-369.145467
HF Energy	-368.879990
Nuclear repulsion energy	58.607175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2520	2520	32.11
2	A₁	2480	2480	43.31
3	A₁	1105	1105	46.68
4	A₁	1017	1017	193.44
5	A₁	528	528	0.32
6	A₂	226	226	0.00
7	E	2571	2571	143.75
7	E	2571	2571	143.75
8	E	2537	2537	0.52
8	E	2537	2537	0.52
9	E	1171	1171	8.74
9	E	1171	1171	8.74
10	E	1143	1143	3.11
10	E	1143	1143	3.11
11	E	840	840	2.49
11	E	840	840	2.49
12	E	378	378	0.69
12	E	378	378	0.69

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.404
P2	0.000	0.000	0.561
H3	0.000	-1.184	-1.683
H4	-1.025	0.592	-1.683
H5	1.025	0.592	-1.683
H6	0.000	1.253	1.218
H7	-1.085	-0.626	1.218
H8	1.085	-0.626	1.218

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9650	1.2162	1.2162	1.2162	2.9061	2.9061	2.9061
P2	1.9650		2.5370	2.5370	2.5370	1.4148	1.4148	1.4148
H3	1.2162	2.5370		2.0504	2.0504	3.7886	3.1470	3.1470
H4	1.2162	2.5370	2.0504		2.0504	3.1470	3.1470	3.7886
H5	1.2162	2.5370	2.0504	2.0504		3.1470	3.7886	3.1470
H6	2.9061	1.4148	3.7886	3.1470	3.1470		2.1701	2.1701
H7	2.9061	1.4148	3.1470	3.1470	3.7886	2.1701		2.1701
H8	2.9061	1.4148	3.1470	3.7886	3.1470	2.1701	2.1701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.677	B1	P2	H7	117.677
B1	P2	H8	117.677	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	100.159
H6	P2	H8	100.159	H7	P2	H8	100.159

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

using model chemistry: MP2/daug-cc-pVDZ

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

using model chemistry: MP2/daug-cc-pVDZ

States and conformations

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