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	hartrees
Energy at 0K	-369.289776
Energy at 298.15K	-369.296416
HF Energy	-368.890081
Nuclear repulsion energy	59.308664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2581	2448	35.03
2	A₁	2503	2374	43.91
3	A₁	1146	1087	8.99
4	A₁	1070	1015	238.55
5	A₁	553	525	1.10
6	A₂	250	237	0.00
7	E	2602	2468	120.34
7	E	2602	2468	120.34
8	E	2583	2450	25.22
8	E	2583	2450	25.22
9	E	1196	1135	13.37
9	E	1196	1135	13.37
10	E	1180	1119	3.52
10	E	1180	1119	3.52
11	E	877	832	2.49
11	E	877	832	2.49
12	E	405	384	3.00
12	E	405	384	3.00

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.382
P2	0.000	0.000	0.555
H3	0.000	-1.170	-1.671
H4	-1.013	0.585	-1.671
H5	1.013	0.585	-1.671
H6	0.000	1.241	1.199
H7	-1.075	-0.620	1.199
H8	1.075	-0.620	1.199

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9374	1.2049	1.2049	1.2049	2.8646	2.8646	2.8646
P2	1.9374		2.5146	2.5146	2.5146	1.3983	1.3983	1.3983
H3	1.2049	2.5146		2.0263	2.0263	3.7485	3.1138	3.1138
H4	1.2049	2.5146	2.0263		2.0263	3.1138	3.1138	3.7485
H5	1.2049	2.5146	2.0263	2.0263		3.1138	3.7485	3.1138
H6	2.8646	1.3983	3.7485	3.1138	3.1138		2.1494	2.1494
H7	2.8646	1.3983	3.1138	3.1138	3.7485	2.1494		2.1494
H8	2.8646	1.3983	3.1138	3.7485	3.1138	2.1494	2.1494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.443	B1	P2	H7	117.443
B1	P2	H8	117.443	P2	B1	H3	103.852
P2	B1	H4	103.852	P2	B1	H5	103.852
H3	B1	H4	114.458	H3	B1	H5	114.458
H4	B1	H5	114.458	H6	P2	H7	100.451
H6	P2	H8	100.451	H7	P2	H8	100.451

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

using model chemistry: MP2=FULL/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=FULL/6-311G**

States and conformations

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