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	hartrees
Energy at 0K	-369.073527
Energy at 298.15K	-369.080118
HF Energy	-368.852896
Nuclear repulsion energy	58.793098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2584	2392	31.27
2	A₁	2533	2345	58.49
3	A₁	1163	1077	27.97
4	A₁	1080	1000	218.09
5	A₁	514	476	0.14
6	A₂	247	228	0.00
7	E	2620	2426	157.75
7	E	2620	2426	157.75
8	E	2590	2398	8.07
8	E	2590	2398	8.07
9	E	1202	1113	7.43
9	E	1202	1113	7.43
10	E	1171	1084	9.91
10	E	1171	1084	9.91
11	E	895	829	1.95
11	E	895	829	1.95
12	E	406	376	2.09
12	E	406	376	2.09

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.402
P2	0.000	0.000	0.562
H3	0.000	-1.173	-1.690
H4	-1.016	0.587	-1.690
H5	1.016	0.587	-1.690
H6	0.000	1.243	1.216
H7	-1.077	-0.622	1.216
H8	1.077	-0.622	1.216

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9642	1.2080	1.2080	1.2080	2.8979	2.8979	2.8979
P2	1.9642		2.5395	2.5395	2.5395	1.4046	1.4046	1.4046
H3	1.2080	2.5395		2.0320	2.0320	3.7793	3.1475	3.1475
H4	1.2080	2.5395	2.0320		2.0320	3.1475	3.1475	3.7793
H5	1.2080	2.5395	2.0320	2.0320		3.1475	3.7793	3.1475
H6	2.8979	1.4046	3.7793	3.1475	3.1475		2.1536	2.1536
H7	2.8979	1.4046	3.1475	3.1475	3.7793	2.1536		2.1536
H8	2.8979	1.4046	3.1475	3.7793	3.1475	2.1536	2.1536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.721	B1	P2	H7	117.721
B1	P2	H8	117.721	P2	B1	H3	103.795
P2	B1	H4	103.795	P2	B1	H5	103.795
H3	B1	H4	114.501	H3	B1	H5	114.501
H4	B1	H5	114.501	H6	P2	H7	100.103
H6	P2	H8	100.103	H7	P2	H8	100.103

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

using model chemistry: CISD/6-31G*

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/6-31G*

States and conformations

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