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	hartrees
Energy at 0K	-369.342783
Energy at 298.15K	-369.349300
HF Energy	-368.905646
Nuclear repulsion energy	59.412394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2492	2402
2	A₁	2469	2380
3	A₁	1118	1078
4	A₁	1018	981
5	A₁	546	526
6	A₂	250	241
7	E	2555	2462
7	E	2555	2462
8	E	2506	2415
8	E	2506	2415
9	E	1188	1145
9	E	1188	1145
10	E	1146	1104
10	E	1146	1104
11	E	856	825
11	E	856	825
12	E	360	347
12	E	359	346

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	1.2031	1.2031	1.2031	2.8653	2.8653	2.8653
P2	1.9298		2.5019	2.5019	2.5019	1.4014	1.4014	1.4014
H3	1.2031	2.5019		2.0259	2.0259	3.7435	3.1086	3.1086
H4	1.2031	2.5019	2.0259		2.0259	3.1086	3.1086	3.7435
H5	1.2031	2.5019	2.0259	2.0259		3.1086	3.7435	3.1086
H6	2.8653	1.4014	3.7435	3.1086	3.1086		2.1473	2.1473
H7	2.8653	1.4014	3.1086	3.1086	3.7435	2.1473		2.1473
H8	2.8653	1.4014	3.1086	3.7435	3.1086	2.1473	2.1473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.790	B1	P2	H7	117.790
B1	P2	H8	117.790	P2	B1	H3	103.548
P2	B1	H4	103.548	P2	B1	H5	103.548
H3	B1	H4	114.688	H3	B1	H5	114.688
H4	B1	H5	114.688	H6	P2	H7	100.017
H6	P2	H8	100.017	H7	P2	H8	100.017

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

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

States and conformations

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