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	hartrees
Energy at 0K	-369.218947
Energy at 298.15K	-369.225539
HF Energy	-368.903588
Nuclear repulsion energy	59.335725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2570	2570	24.95
2	A₁	2510	2510	50.83
3	A₁	1151	1151	24.50
4	A₁	1069	1069	220.91
5	A₁	531	531	0.90
6	A₂	243	243	0.00
7	E	2594	2594	148.37
7	E	2594	2594	148.37
8	E	2572	2572	3.05
8	E	2572	2572	3.05
9	E	1207	1207	9.03
9	E	1207	1207	9.03
10	E	1184	1184	4.51
10	E	1184	1184	4.51
11	E	872	872	3.72
11	E	872	872	3.72
12	E	396	396	1.11
12	E	396	396	1.11

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.385
P2	0.000	0.000	0.555
H3	0.000	-1.168	-1.669
H4	-1.012	0.584	-1.669
H5	1.012	0.584	-1.669
H6	0.000	1.237	1.201
H7	-1.071	-0.618	1.201
H8	1.071	-0.618	1.201

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9408	1.2024	1.2024	1.2024	2.8667	2.8667	2.8667
P2	1.9408		2.5128	2.5128	2.5128	1.3950	1.3950	1.3950
H3	1.2024	2.5128		2.0238	2.0238	3.7445	3.1123	3.1123
H4	1.2024	2.5128	2.0238		2.0238	3.1123	3.1123	3.7445
H5	1.2024	2.5128	2.0238	2.0238		3.1123	3.7445	3.1123
H6	2.8667	1.3950	3.7445	3.1123	3.1123		2.1422	2.1422
H7	2.8667	1.3950	3.1123	3.1123	3.7445	2.1422		2.1422
H8	2.8667	1.3950	3.1123	3.7445	3.1123	2.1422	2.1422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.553	B1	P2	H7	117.553
B1	P2	H8	117.553	P2	B1	H3	103.653
P2	B1	H4	103.653	P2	B1	H5	103.653
H3	B1	H4	114.609	H3	B1	H5	114.609
H4	B1	H5	114.609	H6	P2	H7	100.315
H6	P2	H8	100.315	H7	P2	H8	100.315

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

using model chemistry: CISD/Def2TZVPP

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/Def2TZVPP

States and conformations

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