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	hartrees
Energy at 0K	-369.288619
Energy at 298.15K	-369.295153
HF Energy	-368.905379
Nuclear repulsion energy	59.684138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2543	2543	28.10
2	A₁	2505	2505	36.17
3	A₁	1117	1117	27.57
4	A₁	1031	1031	187.30
5	A₁	563	563	3.30
6	A₂	247	247	0.00
7	E	2602	2602	121.93
7	E	2602	2602	121.93
8	E	2557	2557	2.41
8	E	2557	2557	2.41
9	E	1187	1187	6.06
9	E	1187	1187	6.06
10	E	1161	1161	5.11
10	E	1161	1161	5.11
11	E	851	851	4.09
11	E	851	851	4.09
12	E	371	371	0.57
12	E	371	371	0.57

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.372
P2	0.000	0.000	0.547
H3	0.000	-1.166	-1.650
H4	-1.010	0.583	-1.650
H5	1.010	0.583	-1.650
H6	0.000	1.236	1.199
H7	-1.070	-0.618	1.199
H8	1.070	-0.618	1.199

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9192	1.1986	1.1986	1.1986	2.8523	2.8523	2.8523
P2	1.9192		2.4874	2.4874	2.4874	1.3971	1.3971	1.3971
H3	1.1986	2.4874		2.0194	2.0194	3.7261	3.0921	3.0921
H4	1.1986	2.4874	2.0194		2.0194	3.0921	3.0921	3.7261
H5	1.1986	2.4874	2.0194	2.0194		3.0921	3.7261	3.0921
H6	2.8523	1.3971	3.7261	3.0921	3.0921		2.1406	2.1406
H7	2.8523	1.3971	3.0921	3.0921	3.7261	2.1406		2.1406
H8	2.8523	1.3971	3.0921	3.7261	3.0921	2.1406	2.1406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.796	B1	P2	H7	117.796
B1	P2	H8	117.796	P2	B1	H3	103.411
P2	B1	H4	103.411	P2	B1	H5	103.411
H3	B1	H4	114.791	H3	B1	H5	114.791
H4	B1	H5	114.791	H6	P2	H7	100.010
H6	P2	H8	100.010	H7	P2	H8	100.010

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

using model chemistry: MP2=FULL/daug-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: MP2=FULL/daug-cc-pVTZ

States and conformations

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