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	hartrees
Energy at 0K	-369.185077
Energy at 298.15K	-369.191528
HF Energy	-368.879815
Nuclear repulsion energy	58.260906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2487	2396	28.44
2	A₁	2457	2367	53.36
3	A₁	1109	1068	60.99
4	A₁	1018	980	193.67
5	A₁	500	481	0.08
6	A₂	215	207	0.00
7	E	2537	2444	153.62
7	E	2537	2444	153.62
8	E	2501	2409	1.57
8	E	2501	2409	1.57
9	E	1167	1124	9.30
9	E	1167	1124	9.30
10	E	1136	1094	3.54
10	E	1136	1094	3.54
11	E	840	809	1.91
11	E	840	809	1.91
12	E	375	361	0.93
12	E	375	361	0.93

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.417
P2	0.000	0.000	0.566
H3	0.000	-1.188	-1.696
H4	-1.029	0.594	-1.696
H5	1.029	0.594	-1.696
H6	0.000	1.256	1.226
H7	-1.087	-0.628	1.226
H8	1.087	-0.628	1.226

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9831	1.2202	1.2202	1.2202	2.9260	2.9260	2.9260
P2	1.9831		2.5548	2.5548	2.5548	1.4184	1.4184	1.4184
H3	1.2202	2.5548		2.0576	2.0576	3.8087	3.1673	3.1673
H4	1.2202	2.5548	2.0576		2.0576	3.1673	3.1673	3.8087
H5	1.2202	2.5548	2.0576	2.0576		3.1673	3.8087	3.1673
H6	2.9260	1.4184	3.8087	3.1673	3.1673		2.1749	2.1749
H7	2.9260	1.4184	3.1673	3.1673	3.8087	2.1749		2.1749
H8	2.9260	1.4184	3.1673	3.8087	3.1673	2.1749	2.1749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.716	B1	P2	H7	117.716
B1	P2	H8	117.716	P2	B1	H3	103.203
P2	B1	H4	103.203	P2	B1	H5	103.203
H3	B1	H4	114.945	H3	B1	H5	114.945
H4	B1	H5	114.945	H6	P2	H7	100.110
H6	P2	H8	100.110	H7	P2	H8	100.110

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

using model chemistry: CCSD/aug-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: CCSD/aug-cc-pVDZ

States and conformations

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