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	hartrees
Energy at 0K	-369.272665
Energy at 298.15K	-369.279170
HF Energy	-368.905905
Nuclear repulsion energy	59.038211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2488	2405
2	A₁	2455	2374
3	A₁	1106	1069
4	A₁	1021	987
5	A₁	526	509
6	A₂	237	229
7	E	2538	2454
7	E	2538	2454
8	E	2499	2416
8	E	2499	2416
9	E	1167	1128
9	E	1167	1128
10	E	1140	1102
10	E	1139	1101
11	E	843	815
11	E	843	815
12	E	375	363
12	E	375	363

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.392
P2	0.000	0.000	0.556
H3	0.000	-1.176	-1.671
H4	-1.018	0.588	-1.671
H5	1.018	0.588	-1.671
H6	0.000	1.244	1.212
H7	-1.077	-0.622	1.212
H8	1.077	-0.622	1.212

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9482	1.2080	1.2080	1.2080	2.8859	2.8859	2.8859
P2	1.9482		2.5179	2.5179	2.5179	1.4062	1.4062	1.4062
H3	1.2080	2.5179		2.0360	2.0360	3.7633	3.1267	3.1267
H4	1.2080	2.5179	2.0360		2.0360	3.1267	3.1267	3.7633
H5	1.2080	2.5179	2.0360	2.0360		3.1267	3.7633	3.1267
H6	2.8859	1.4062	3.7633	3.1267	3.1267		2.1544	2.1544
H7	2.8859	1.4062	3.1267	3.1267	3.7633	2.1544		2.1544
H8	2.8859	1.4062	3.1267	3.7633	3.1267	2.1544	2.1544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.804	B1	P2	H7	117.804
B1	P2	H8	117.804	P2	B1	H3	103.326
P2	B1	H4	103.326	P2	B1	H5	103.326
H3	B1	H4	114.854	H3	B1	H5	114.854
H4	B1	H5	114.854	H6	P2	H7	99.999
H6	P2	H8	99.999	H7	P2	H8	99.999

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

using model chemistry: QCISD(T)/aug-cc-pVTZ

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(T)/aug-cc-pVTZ

States and conformations

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