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	hartrees
Energy at 0K	-369.124997
Energy at 298.15K	-369.131533
HF Energy	-368.877369
Nuclear repulsion energy	58.652100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2546	2425	25.85
2	A₁	2504	2385	52.73
3	A₁	1117	1064	20.45
4	A₁	1036	986	215.61
5	A₁	534	509	0.43
6	A₂	243	232	0.00
7	E	2602	2479	134.40
7	E	2602	2479	134.40
8	E	2563	2441	3.71
8	E	2563	2441	3.71
9	E	1175	1120	8.78
9	E	1175	1120	8.78
10	E	1159	1104	3.28
10	E	1159	1104	3.28
11	E	850	810	1.86
11	E	850	810	1.86
12	E	380	362	0.84
12	E	380	362	0.84

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.402
P2	0.000	0.000	0.560
H3	0.000	-1.186	-1.682
H4	-1.027	0.593	-1.682
H5	1.027	0.593	-1.682
H6	0.000	1.250	1.218
H7	-1.082	-0.625	1.218
H8	1.082	-0.625	1.218

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9627	1.2187	1.2187	1.2187	2.9031	2.9031	2.9031
P2	1.9627		2.5366	2.5366	2.5366	1.4124	1.4124	1.4124
H3	1.2187	2.5366		2.0545	2.0545	3.7872	3.1456	3.1456
H4	1.2187	2.5366	2.0545		2.0545	3.1456	3.1456	3.7872
H5	1.2187	2.5366	2.0545	2.0545		3.1456	3.7872	3.1456
H6	2.9031	1.4124	3.7872	3.1456	3.1456		2.1650	2.1650
H7	2.9031	1.4124	3.1456	3.1456	3.7872	2.1650		2.1650
H8	2.9031	1.4124	3.1456	3.7872	3.1456	2.1650	2.1650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.747	B1	P2	H7	117.747
B1	P2	H8	117.747	P2	B1	H3	103.258
P2	B1	H4	103.258	P2	B1	H5	103.258
H3	B1	H4	114.904	H3	B1	H5	114.904
H4	B1	H5	114.904	H6	P2	H7	100.071
H6	P2	H8	100.071	H7	P2	H8	100.071

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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