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	hartrees
Energy at 0K	-369.193957
Energy at 298.15K	-369.200385
HF Energy	-368.879682
Nuclear repulsion energy	58.247541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2469	2376
2	A₁	2447	2355
3	A₁	1096	1055
4	A₁	1008	970
5	A₁	504	485
6	A₂	214	206
7	E	2527	2433
7	E	2527	2432
8	E	2485	2391
8	E	2484	2391
9	E	1157	1114
9	E	1157	1114
10	E	1127	1084
10	E	1126	1084
11	E	831	800
11	E	831	800
12	E	369	355
12	E	369	355

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.416
P2	0.000	0.000	0.565
H3	0.000	-1.190	-1.694
H4	-1.030	0.595	-1.694
H5	1.030	0.595	-1.694
H6	0.000	1.256	1.228
H7	-1.088	-0.628	1.228
H8	1.088	-0.628	1.228

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9817	1.2214	1.2214	1.2214	2.9281	2.9281	2.9281
P2	1.9817		2.5529	2.5529	2.5529	1.4205	1.4205	1.4205
H3	1.2214	2.5529		2.0604	2.0604	3.8105	3.1681	3.1681
H4	1.2214	2.5529	2.0604		2.0604	3.1681	3.1681	3.8105
H5	1.2214	2.5529	2.0604	2.0604		3.1681	3.8105	3.1681
H6	2.9281	1.4205	3.8105	3.1681	3.1681		2.1758	2.1758
H7	2.9281	1.4205	3.1681	3.1681	3.8105	2.1758		2.1758
H8	2.9281	1.4205	3.1681	3.8105	3.1681	2.1758	2.1758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.833	B1	P2	H7	117.833
B1	P2	H8	117.833	P2	B1	H3	103.115
P2	B1	H4	103.115	P2	B1	H5	103.115
H3	B1	H4	115.010	H3	B1	H5	115.010
H4	B1	H5	115.010	H6	P2	H7	99.962
H6	P2	H8	99.962	H7	P2	H8	99.962

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

using model chemistry: CCSD(T)/aug-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: CCSD(T)/aug-cc-pVDZ

States and conformations

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