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	hartrees
Energy at 0K	-369.444813
Energy at 298.15K	-369.451359
HF Energy	-368.901962
Nuclear repulsion energy	59.406906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2490	2490
2	A₁	2462	2462
3	A₁	1112	1112
4	A₁	1032	1032
5	A₁	551	551
6	A₂	240	240
7	E	2543	2543
7	E	2543	2543
8	E	2502	2502
8	E	2502	2502
9	E	1169	1169
9	E	1169	1169
10	E	1146	1146
10	E	1145	1145
11	E	847	847
11	E	847	847
12	E	385	385
12	E	384	384

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.378
P2	0.000	0.000	0.551
H3	0.000	-1.172	-1.662
H4	-1.015	0.586	-1.662
H5	1.015	0.586	-1.662
H6	0.000	1.239	1.205
H7	-1.073	-0.620	1.205
H8	1.073	-0.620	1.205

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9281	1.2058	1.2058	1.2058	2.8646	2.8646	2.8646
P2	1.9281		2.5036	2.5036	2.5036	1.4015	1.4015	1.4015
H3	1.2058	2.5036		2.0297	2.0297	3.7460	3.1106	3.1106
H4	1.2058	2.5036	2.0297		2.0297	3.1106	3.1106	3.7460
H5	1.2058	2.5036	2.0297	2.0297		3.1106	3.7460	3.1106
H6	2.8646	1.4015	3.7460	3.1106	3.1106		2.1465	2.1465
H7	2.8646	1.4015	3.1106	3.1106	3.7460	2.1465		2.1465
H8	2.8646	1.4015	3.1106	3.7460	3.1106	2.1465	2.1465

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.839	B1	P2	H7	117.839
B1	P2	H8	117.839	P2	B1	H3	103.636
P2	B1	H4	103.636	P2	B1	H5	103.636
H3	B1	H4	114.622	H3	B1	H5	114.622
H4	B1	H5	114.622	H6	P2	H7	99.955
H6	P2	H8	99.955	H7	P2	H8	99.955

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

using model chemistry: QCISD(T)=FULL/6-311+G(3df,2p)

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)=FULL/6-311+G(3df,2p)

States and conformations

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