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	hartrees
Energy at 0K	-367.268314
Energy at 298.15K	-367.274880
HF Energy	-367.068960
Nuclear repulsion energy	58.603512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2595	2425	19.26
2	A₁	2506	2341	45.17
3	A₁	1152	1077	28.85
4	A₁	1079	1008	193.15
5	A₁	477	446	1.30
6	A₂	230	215	0.00
7	E	2604	2433	79.73
7	E	2604	2433	79.73
8	E	2585	2415	28.62
8	E	2585	2415	28.62
9	E	1197	1118	6.34
9	E	1197	1118	6.34
10	E	1184	1106	8.45
10	E	1184	1106	8.45
11	E	896	837	0.62
11	E	896	837	0.62
12	E	412	385	2.32
12	E	412	385	2.32

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.410
P2	0.000	0.000	0.567
H3	0.000	-1.178	-1.702
H4	-1.020	0.589	-1.702
H5	1.020	0.589	-1.702
H6	0.000	1.241	1.217
H7	-1.075	-0.621	1.217
H8	1.075	-0.621	1.217

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9764	1.2135	1.2135	1.2135	2.9052	2.9052	2.9052
P2	1.9764		2.5566	2.5566	2.5566	1.4012	1.4012	1.4012
H3	1.2135	2.5566		2.0398	2.0398	3.7913	3.1606	3.1606
H4	1.2135	2.5566	2.0398		2.0398	3.1606	3.1606	3.7913
H5	1.2135	2.5566	2.0398	2.0398		3.1606	3.7913	3.1606
H6	2.9052	1.4012	3.7913	3.1606	3.1606		2.1497	2.1497
H7	2.9052	1.4012	3.1606	3.1606	3.7913	2.1497		2.1497
H8	2.9052	1.4012	3.1606	3.7913	3.1606	2.1497	2.1497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.652	B1	P2	H7	117.652
B1	P2	H8	117.652	P2	B1	H3	103.963
P2	B1	H4	103.963	P2	B1	H5	103.963
H3	B1	H4	114.373	H3	B1	H5	114.373
H4	B1	H5	114.373	H6	P2	H7	100.190
H6	P2	H8	100.190	H7	P2	H8	100.190

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

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

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