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	hartrees
Energy at 0K	-369.146813
Energy at 298.15K	-369.153399
HF Energy	-368.889982
Nuclear repulsion energy	59.040787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2560	2426	25.54
2	A₁	2516	2385	48.61
3	A₁	1139	1080	24.25
4	A₁	1058	1003	228.89
5	A₁	526	498	0.59
6	A₂	245	232	0.00
7	E	2610	2474	142.89
7	E	2610	2474	142.89
8	E	2571	2437	4.28
8	E	2571	2437	4.28
9	E	1196	1134	7.90
9	E	1196	1134	7.90
10	E	1177	1116	6.19
10	E	1177	1116	6.19
11	E	870	824	1.79
11	E	870	824	1.79
12	E	394	373	1.87
12	E	394	373	1.87

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.395
P2	0.000	0.000	0.558
H3	0.000	-1.170	-1.676
H4	-1.014	0.585	-1.676
H5	1.014	0.585	-1.676
H6	0.000	1.243	1.209
H7	-1.076	-0.621	1.209
H8	1.076	-0.621	1.209

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9533	1.2036	1.2036	1.2036	2.8853	2.8853	2.8853
P2	1.9533		2.5221	2.5221	2.5221	1.4027	1.4027	1.4027
H3	1.2036	2.5221		2.0271	2.0271	3.7610	3.1276	3.1276
H4	1.2036	2.5221	2.0271		2.0271	3.1276	3.1276	3.7610
H5	1.2036	2.5221	2.0271	2.0271		3.1276	3.7610	3.1276
H6	2.8853	1.4027	3.7610	3.1276	3.1276		2.1524	2.1524
H7	2.8853	1.4027	3.1276	3.1276	3.7610	2.1524		2.1524
H8	2.8853	1.4027	3.1276	3.7610	3.1276	2.1524	2.1524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.637	B1	P2	H7	117.637
B1	P2	H8	117.637	P2	B1	H3	103.495
P2	B1	H4	103.495	P2	B1	H5	103.495
H3	B1	H4	114.728	H3	B1	H5	114.728
H4	B1	H5	114.728	H6	P2	H7	100.209
H6	P2	H8	100.209	H7	P2	H8	100.209

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

using model chemistry: MP2/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: MP2/TZVP

States and conformations

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