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	hartrees
Energy at 0K	-369.195453
Energy at 298.15K	-369.201877
HF Energy	-368.879971
Nuclear repulsion energy	58.247450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2468	2468
2	A₁	2440	2440
3	A₁	1094	1094
4	A₁	1006	1006
5	A₁	503	503
6	A₂	212	212
7	E	2523	2523
7	E	2523	2523
8	E	2483	2483
8	E	2482	2482
9	E	1157	1157
9	E	1157	1157
10	E	1124	1124
10	E	1123	1123
11	E	829	829
11	E	829	829
12	E	368	368
12	E	368	368

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.417
P2	0.000	0.000	0.565
H3	0.000	-1.189	-1.694
H4	-1.030	0.594	-1.694
H5	1.030	0.594	-1.694
H6	0.000	1.256	1.229
H7	-1.088	-0.628	1.229
H8	1.088	-0.628	1.229

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9821	1.2207	1.2207	1.2207	2.9287	2.9287	2.9287
P2	1.9821		2.5528	2.5528	2.5528	1.4205	1.4205	1.4205
H3	1.2207	2.5528		2.0591	2.0591	3.8104	3.1686	3.1686
H4	1.2207	2.5528	2.0591		2.0591	3.1686	3.1686	3.8104
H5	1.2207	2.5528	2.0591	2.0591		3.1686	3.8104	3.1686
H6	2.9287	1.4205	3.8104	3.1686	3.1686		2.1753	2.1753
H7	2.9287	1.4205	3.1686	3.1686	3.8104	2.1753		2.1753
H8	2.9287	1.4205	3.1686	3.8104	3.1686	2.1753	2.1753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.853	B1	P2	H7	117.853
B1	P2	H8	117.853	P2	B1	H3	103.117
P2	B1	H4	103.117	P2	B1	H5	103.117
H3	B1	H4	115.008	H3	B1	H5	115.008
H4	B1	H5	115.008	H6	P2	H7	99.938
H6	P2	H8	99.938	H7	P2	H8	99.938

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

using model chemistry: QCISD(T)/daug-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(T)/daug-cc-pVDZ

States and conformations

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