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	hartrees
Energy at 0K	-369.135584
Energy at 298.15K	-369.142128
HF Energy	-368.877301
Nuclear repulsion energy	58.758552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2557	2431	26.51
2	A₁	2510	2385	51.76
3	A₁	1117	1062	17.69
4	A₁	1037	985	215.36
5	A₁	541	514	0.66
6	A₂	245	233	0.00
7	E	2609	2479	134.87
7	E	2609	2479	134.87
8	E	2576	2448	1.90
8	E	2576	2448	1.90
9	E	1176	1118	8.47
9	E	1176	1118	8.47
10	E	1159	1102	3.45
10	E	1159	1102	3.45
11	E	850	808	2.02
11	E	850	808	2.02
12	E	380	362	0.84
12	E	380	362	0.84

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.398
P2	0.000	0.000	0.559
H3	0.000	-1.185	-1.679
H4	-1.026	0.593	-1.679
H5	1.026	0.593	-1.679
H6	0.000	1.249	1.216
H7	-1.081	-0.624	1.216
H8	1.081	-0.624	1.216

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9571	1.2178	1.2178	1.2178	2.8968	2.8968	2.8968
P2	1.9571		2.5321	2.5321	2.5321	1.4109	1.4109	1.4109
H3	1.2178	2.5321		2.0525	2.0525	3.7817	3.1404	3.1404
H4	1.2178	2.5321	2.0525		2.0525	3.1404	3.1404	3.7817
H5	1.2178	2.5321	2.0525	2.0525		3.1404	3.7817	3.1404
H6	2.8968	1.4109	3.7817	3.1404	3.1404		2.1627	2.1627
H7	2.8968	1.4109	3.1404	3.1404	3.7817	2.1627		2.1627
H8	2.8968	1.4109	3.1404	3.7817	3.1404	2.1627	2.1627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.745	B1	P2	H7	117.745
B1	P2	H8	117.745	P2	B1	H3	103.322
P2	B1	H4	103.322	P2	B1	H5	103.322
H3	B1	H4	114.857	H3	B1	H5	114.857
H4	B1	H5	114.857	H6	P2	H7	100.073
H6	P2	H8	100.073	H7	P2	H8	100.073

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

using model chemistry: MP2=FULL/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=FULL/cc-pVDZ

States and conformations

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