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	hartrees
Energy at 0K	-369.444792
Energy at 298.15K	-369.451335
HF Energy	-368.903338
Nuclear repulsion energy	59.394752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2513	2513
2	A₁	2481	2481
3	A₁	1117	1117
4	A₁	1038	1038
5	A₁	541	541
6	A₂	245	245
7	E	2563	2563
7	E	2563	2563
8	E	2520	2520
8	E	2519	2519
9	E	1179	1179
9	E	1179	1179
10	E	1152	1152
10	E	1151	1151
11	E	848	848
11	E	848	848
12	E	383	383
12	E	383	383

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.380
P2	0.000	0.000	0.552
H3	0.000	-1.169	-1.663
H4	-1.012	0.585	-1.663
H5	1.012	0.585	-1.663
H6	0.000	1.238	1.205
H7	-1.072	-0.619	1.205
H8	1.072	-0.619	1.205

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9323	1.2028	1.2028	1.2028	2.8665	2.8665	2.8665
P2	1.9323		2.5045	2.5045	2.5045	1.3999	1.3999	1.3999
H3	1.2028	2.5045		2.0250	2.0250	3.7443	3.1108	3.1108
H4	1.2028	2.5045	2.0250		2.0250	3.1108	3.1108	3.7443
H5	1.2028	2.5045	2.0250	2.0250		3.1108	3.7443	3.1108
H6	2.8665	1.3999	3.7443	3.1108	3.1108		2.1448	2.1448
H7	2.8665	1.3999	3.1108	3.1108	3.7443	2.1448		2.1448
H8	2.8665	1.3999	3.1108	3.7443	3.1108	2.1448	2.1448

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.802	B1	P2	H7	117.802
B1	P2	H8	117.802	P2	B1	H3	103.587
P2	B1	H4	103.587	P2	B1	H5	103.587
H3	B1	H4	114.659	H3	B1	H5	114.659
H4	B1	H5	114.659	H6	P2	H7	100.003
H6	P2	H8	100.003	H7	P2	H8	100.003

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

using model chemistry: CCSD(T)=FULL/Def2TZVPP

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(T)=FULL/Def2TZVPP

States and conformations

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