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	hartrees
Energy at 0K	-369.137633
Energy at 298.15K	-369.144136
HF Energy	-368.879704
Nuclear repulsion energy	58.605221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2520	2417	31.44
2	A₁	2486	2384	43.68
3	A₁	1107	1062	48.50
4	A₁	1019	977	190.67
5	A₁	529	508	0.36
6	A₂	227	218	0.00
7	E	2575	2469	142.95
7	E	2575	2469	142.95
8	E	2539	2435	0.75
8	E	2539	2435	0.75
9	E	1171	1123	8.77
9	E	1171	1123	8.77
10	E	1146	1099	3.13
10	E	1146	1099	3.13
11	E	842	807	2.42
11	E	842	807	2.42
12	E	379	364	0.72
12	E	379	364	0.72

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.404
P2	0.000	0.000	0.561
H3	0.000	-1.185	-1.683
H4	-1.026	0.592	-1.683
H5	1.026	0.592	-1.683
H6	0.000	1.253	1.218
H7	-1.085	-0.627	1.218
H8	1.085	-0.627	1.218

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9646	1.2170	1.2170	1.2170	2.9056	2.9056	2.9056
P2	1.9646		2.5371	2.5371	2.5371	1.4148	1.4148	1.4148
H3	1.2170	2.5371		2.0517	2.0517	3.7888	3.1468	3.1468
H4	1.2170	2.5371	2.0517		2.0517	3.1468	3.1468	3.7888
H5	1.2170	2.5371	2.0517	2.0517		3.1468	3.7888	3.1468
H6	2.9056	1.4148	3.7888	3.1468	3.1468		2.1704	2.1704
H7	2.9056	1.4148	3.1468	3.1468	3.7888	2.1704		2.1704
H8	2.9056	1.4148	3.1468	3.7888	3.1468	2.1704	2.1704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.665	B1	P2	H7	117.665
B1	P2	H8	117.665	P2	B1	H3	103.253
P2	B1	H4	103.253	P2	B1	H5	103.253
H3	B1	H4	114.908	H3	B1	H5	114.908
H4	B1	H5	114.908	H6	P2	H7	100.174
H6	P2	H8	100.174	H7	P2	H8	100.174

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

using model chemistry: MP2/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: MP2/aug-cc-pVDZ

States and conformations

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