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	hartrees
Energy at 0K	-369.172264
Energy at 298.15K	-369.178748
HF Energy	-368.877498
Nuclear repulsion energy	58.326198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2514	2412	24.47
2	A₁	2477	2377	62.61
3	A₁	1117	1072	30.60
4	A₁	1033	991	223.02
5	A₁	506	485	0.08
6	A₂	231	221	0.00
7	E	2565	2461	145.13
7	E	2565	2461	145.13
8	E	2526	2423	5.18
8	E	2526	2423	5.18
9	E	1170	1123	8.43
9	E	1170	1123	8.43
10	E	1148	1101	4.63
10	E	1148	1101	4.63
11	E	846	812	1.35
11	E	846	812	1.35
12	E	376	361	1.16
12	E	376	361	1.16

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.415
P2	0.000	0.000	0.565
H3	0.000	-1.189	-1.694
H4	-1.030	0.595	-1.694
H5	1.030	0.595	-1.694
H6	0.000	1.252	1.226
H7	-1.084	-0.626	1.226
H8	1.084	-0.626	1.226

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9801	1.2218	1.2218	1.2218	2.9223	2.9223	2.9223
P2	1.9801		2.5533	2.5533	2.5533	1.4156	1.4156	1.4156
H3	1.2218	2.5533		2.0603	2.0603	3.8061	3.1651	3.1651
H4	1.2218	2.5533	2.0603		2.0603	3.1651	3.1651	3.8061
H5	1.2218	2.5533	2.0603	2.0603		3.1651	3.8061	3.1651
H6	2.9223	1.4156	3.8061	3.1651	3.1651		2.1689	2.1689
H7	2.9223	1.4156	3.1651	3.1651	3.8061	2.1689		2.1689
H8	2.9223	1.4156	3.1651	3.8061	3.1651	2.1689	2.1689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.803	B1	P2	H7	117.803
B1	P2	H8	117.803	P2	B1	H3	103.210
P2	B1	H4	103.210	P2	B1	H5	103.210
H3	B1	H4	114.940	H3	B1	H5	114.940
H4	B1	H5	114.940	H6	P2	H7	100.001
H6	P2	H8	100.001	H7	P2	H8	100.001

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

using model chemistry: QCISD/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/cc-pVDZ

States and conformations

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