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	hartrees
Energy at 0K	-369.210321
Energy at 298.15K	-369.216901
HF Energy	-368.903243
Nuclear repulsion energy	59.538121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2552	2428	25.91
2	A₁	2506	2384	38.41
3	A₁	1121	1066	12.39
4	A₁	1045	994	210.28
5	A₁	558	531	3.75
6	A₂	253	240	0.00
7	E	2599	2473	122.10
7	E	2599	2473	122.10
8	E	2562	2438	1.34
8	E	2562	2438	1.34
9	E	1187	1129	8.20
9	E	1187	1129	8.20
10	E	1168	1111	3.34
10	E	1168	1111	3.34
11	E	852	811	4.20
11	E	852	811	4.20
12	E	387	368	0.60
12	E	387	368	0.60

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.376
P2	0.000	0.000	0.550
H3	0.000	-1.170	-1.657
H4	-1.013	0.585	-1.657
H5	1.013	0.585	-1.657
H6	0.000	1.237	1.200
H7	-1.071	-0.619	1.200
H8	1.071	-0.619	1.200

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9256	1.2029	1.2029	1.2029	2.8569	2.8569	2.8569
P2	1.9256		2.4977	2.4977	2.4977	1.3973	1.3973	1.3973
H3	1.2029	2.4977		2.0258	2.0258	3.7352	3.1001	3.1001
H4	1.2029	2.4977	2.0258		2.0258	3.1001	3.1001	3.7352
H5	1.2029	2.4977	2.0258	2.0258		3.1001	3.7352	3.1001
H6	2.8569	1.3973	3.7352	3.1001	3.1001		2.1428	2.1428
H7	2.8569	1.3973	3.1001	3.1001	3.7352	2.1428		2.1428
H8	2.8569	1.3973	3.1001	3.7352	3.1001	2.1428	2.1428

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.702	B1	P2	H7	117.702
B1	P2	H8	117.702	P2	B1	H3	103.525
P2	B1	H4	103.525	P2	B1	H5	103.525
H3	B1	H4	114.706	H3	B1	H5	114.706
H4	B1	H5	114.706	H6	P2	H7	100.128
H6	P2	H8	100.128	H7	P2	H8	100.128

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

using model chemistry: MP2/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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All results from a given calculation for BH3PH3 (borane phosphine)

using model chemistry: MP2/Def2TZVPP

States and conformations

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