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	hartrees
Energy at 0K	-369.180478
Energy at 298.15K	-369.186945
HF Energy	-368.877383
Nuclear repulsion energy	58.319205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2497	2497
2	A₁	2468	2468
3	A₁	1108	1108
4	A₁	1025	1025
5	A₁	510	510
6	A₂	232	232
7	E	2556	2556
7	E	2556	2556
8	E	2510	2510
8	E	2510	2510
9	E	1162	1162
9	E	1162	1162
10	E	1140	1140
10	E	1140	1140
11	E	839	839
11	E	839	839
12	E	371	371
12	E	371	371

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.414
P2	0.000	0.000	0.564
H3	0.000	-1.191	-1.692
H4	-1.031	0.595	-1.692
H5	1.031	0.595	-1.692
H6	0.000	1.253	1.228
H7	-1.085	-0.626	1.228
H8	1.085	-0.626	1.228

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9785	1.2230	1.2230	1.2230	2.9239	2.9239	2.9239
P2	1.9785		2.5514	2.5514	2.5514	1.4175	1.4175	1.4175
H3	1.2230	2.5514		2.0629	2.0629	3.8074	3.1656	3.1656
H4	1.2230	2.5514	2.0629		2.0629	3.1656	3.1656	3.8074
H5	1.2230	2.5514	2.0629	2.0629		3.1656	3.8074	3.1656
H6	2.9239	1.4175	3.8074	3.1656	3.1656		2.1695	2.1695
H7	2.9239	1.4175	3.1656	3.1656	3.8074	2.1695		2.1695
H8	2.9239	1.4175	3.1656	3.8074	3.1656	2.1695	2.1695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.911	B1	P2	H7	117.911
B1	P2	H8	117.911	P2	B1	H3	103.131
P2	B1	H4	103.131	P2	B1	H5	103.131
H3	B1	H4	114.998	H3	B1	H5	114.998
H4	B1	H5	114.998	H6	P2	H7	99.865
H6	P2	H8	99.865	H7	P2	H8	99.865

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

using model chemistry: QCISD(TQ)/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: QCISD(TQ)/cc-pVDZ

States and conformations

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