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	hartrees
Energy at 0K	-369.197114
Energy at 298.15K	-369.203654
HF Energy	-368.890175
Nuclear repulsion energy	58.790382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2525	2431
2	A₁	2490	2398
3	A₁	1134	1092
4	A₁	1051	1012
5	A₁	507	488
6	A₂	239	230
7	E	2579	2484
7	E	2579	2484
8	E	2534	2440
8	E	2534	2440
9	E	1187	1143
9	E	1187	1143
10	E	1163	1120
10	E	1163	1120
11	E	863	831
11	E	863	831
12	E	387	373
12	E	387	372

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.405
P2	0.000	0.000	0.562
H3	0.000	-1.174	-1.683
H4	-1.016	0.587	-1.683
H5	1.016	0.587	-1.683
H6	0.000	1.244	1.217
H7	-1.077	-0.622	1.217
H8	1.077	-0.622	1.217

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9663	1.2062	1.2062	1.2062	2.9014	2.9014	2.9014
P2	1.9663		2.5331	2.5331	2.5331	1.4057	1.4057	1.4057
H3	1.2062	2.5331		2.0328	2.0328	3.7753	3.1423	3.1423
H4	1.2062	2.5331	2.0328		2.0328	3.1423	3.1423	3.7753
H5	1.2062	2.5331	2.0328	2.0328		3.1423	3.7753	3.1423
H6	2.9014	1.4057	3.7753	3.1423	3.1423		2.1544	2.1544
H7	2.9014	1.4057	3.1423	3.1423	3.7753	2.1544		2.1544
H8	2.9014	1.4057	3.1423	3.7753	3.1423	2.1544	2.1544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.770	B1	P2	H7	117.770
B1	P2	H8	117.770	P2	B1	H3	103.354
P2	B1	H4	103.354	P2	B1	H5	103.354
H3	B1	H4	114.833	H3	B1	H5	114.833
H4	B1	H5	114.833	H6	P2	H7	100.042
H6	P2	H8	100.042	H7	P2	H8	100.042

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

using model chemistry: MP4/TZVP

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: MP4/TZVP

States and conformations

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