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	hartrees
Energy at 0K	-369.330087
Energy at 298.15K	-369.336633
HF Energy	-368.905072
Nuclear repulsion energy	59.438779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2504	2398
2	A₁	2487	2383
3	A₁	1113	1067
4	A₁	1027	984
5	A₁	552	529
6	A₂	242	232
7	E	2571	2463
7	E	2571	2463
8	E	2514	2409
8	E	2514	2408
9	E	1185	1135
9	E	1184	1135
10	E	1141	1093
10	E	1140	1092
11	E	846	810
11	E	845	810
12	E	380	364
12	E	380	364

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.378
P2	0.000	0.000	0.551
H3	0.000	-1.165	-1.665
H4	-1.009	0.582	-1.665
H5	1.009	0.582	-1.665
H6	0.000	1.239	1.206
H7	-1.073	-0.620	1.206
H8	1.073	-0.620	1.206

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9290	1.1996	1.1996	1.1996	2.8651	2.8651	2.8651
P2	1.9290		2.5038	2.5038	2.5038	1.4012	1.4012	1.4012
H3	1.1996	2.5038		2.0171	2.0171	3.7442	3.1129	3.1129
H4	1.1996	2.5038	2.0171		2.0171	3.1129	3.1129	3.7442
H5	1.1996	2.5038	2.0171	2.0171		3.1129	3.7442	3.1129
H6	2.8651	1.4012	3.7442	3.1129	3.1129		2.1461	2.1461
H7	2.8651	1.4012	3.1129	3.1129	3.7442	2.1461		2.1461
H8	2.8651	1.4012	3.1129	3.7442	3.1129	2.1461	2.1461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.838	B1	P2	H7	117.838
B1	P2	H8	117.838	P2	B1	H3	103.869
P2	B1	H4	103.869	P2	B1	H5	103.869
H3	B1	H4	114.444	H3	B1	H5	114.444
H4	B1	H5	114.444	H6	P2	H7	99.956
H6	P2	H8	99.956	H7	P2	H8	99.956

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/cc-pVTZ

States and conformations

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