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	hartrees
Energy at 0K	-369.342981
Energy at 298.15K	-369.349498
HF Energy	-368.905644
Nuclear repulsion energy	59.411906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2492	2492
2	A₁	2468	2468
3	A₁	1118	1118
4	A₁	1018	1018
5	A₁	546	546
6	A₂	250	250
7	E	2554	2554
7	E	2554	2554
8	E	2506	2506
8	E	2505	2505
9	E	1188	1188
9	E	1187	1187
10	E	1145	1145
10	E	1145	1145
11	E	856	856
11	E	856	856
12	E	360	360
12	E	359	359

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.379
P2	0.000	0.000	0.551
H3	0.000	-1.170	-1.661
H4	-1.013	0.585	-1.661
H5	1.013	0.585	-1.661
H6	0.000	1.240	1.204
H7	-1.074	-0.620	1.204
H8	1.074	-0.620	1.204

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9298	1.2032	1.2032	1.2032	2.8654	2.8654	2.8654
P2	1.9298		2.5020	2.5020	2.5020	1.4014	1.4014	1.4014
H3	1.2032	2.5020		2.0260	2.0260	3.7436	3.1088	3.1088
H4	1.2032	2.5020	2.0260		2.0260	3.1088	3.1088	3.7436
H5	1.2032	2.5020	2.0260	2.0260		3.1088	3.7436	3.1088
H6	2.8654	1.4014	3.7436	3.1088	3.1088		2.1472	2.1472
H7	2.8654	1.4014	3.1088	3.1088	3.7436	2.1472		2.1472
H8	2.8654	1.4014	3.1088	3.7436	3.1088	2.1472	2.1472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.795	B1	P2	H7	117.795
B1	P2	H8	117.795	P2	B1	H3	103.551
P2	B1	H4	103.551	P2	B1	H5	103.551
H3	B1	H4	114.686	H3	B1	H5	114.686
H4	B1	H5	114.686	H6	P2	H7	100.011
H6	P2	H8	100.011	H7	P2	H8	100.011

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

using model chemistry: QCISD(T)=FULL/aug-cc-pVTZ

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: QCISD(T)=FULL/aug-cc-pVTZ

States and conformations

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