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	hartrees
Energy at 0K	-369.089348
Energy at 298.15K	-369.095998
HF Energy	-368.877041
Nuclear repulsion energy	59.179715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2522	2397	33.79
2	A₁	2480	2356	47.49
3	A₁	1138	1082	3.59
4	A₁	1065	1012	220.98
5	A₁	556	529	1.00
6	A₂	249	237	0.00
7	E	2570	2442	139.80
7	E	2570	2442	139.80
8	E	2534	2408	3.66
8	E	2534	2408	3.66
9	E	1188	1129	13.47
9	E	1188	1129	13.47
10	E	1165	1107	0.12
10	E	1165	1107	0.12
11	E	885	841	2.56
11	E	885	841	2.56
12	E	417	396	2.22
12	E	417	396	2.22

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.381
P2	0.000	0.000	0.556
H3	0.000	-1.171	-1.680
H4	-1.014	0.586	-1.680
H5	1.014	0.586	-1.680
H6	0.000	1.246	1.202
H7	-1.079	-0.623	1.202
H8	1.079	-0.623	1.202

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9377	1.2087	1.2087	1.2087	2.8677	2.8677	2.8677
P2	1.9377		2.5246	2.5246	2.5246	1.4029	1.4029	1.4029
H3	1.2087	2.5246		2.0286	2.0286	3.7611	3.1256	3.1256
H4	1.2087	2.5246	2.0286		2.0286	3.1256	3.1256	3.7611
H5	1.2087	2.5246	2.0286	2.0286		3.1256	3.7611	3.1256
H6	2.8677	1.4029	3.7611	3.1256	3.1256		2.1575	2.1575
H7	2.8677	1.4029	3.1256	3.1256	3.7611	2.1575		2.1575
H8	2.8677	1.4029	3.1256	3.7611	3.1256	2.1575	2.1575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.385	B1	P2	H7	117.385
B1	P2	H8	117.385	P2	B1	H3	104.312
P2	B1	H4	104.312	P2	B1	H5	104.312
H3	B1	H4	114.101	H3	B1	H5	114.101
H4	B1	H5	114.101	H6	P2	H7	100.524
H6	P2	H8	100.524	H7	P2	H8	100.524

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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