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	hartrees
Energy at 0K	-369.393677
Energy at 298.15K
HF Energy	-368.908526
Nuclear repulsion energy	59.657467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2515	2515
2	A₁	2494	2494
3	A₁	1114	1114
4	A₁	1031	1031
5	A₁	563	563
6	A₂	252	252
7	E	2581	2581
7	E	2581	2581
8	E	2524	2524
8	E	2524	2524
9	E	1185	1185
9	E	1185	1185
10	E	1147	1147
10	E	1146	1146
11	E	847	847
11	E	847	847
12	E	380	380
12	E	380	380

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.370
P2	0.000	0.000	0.548
H3	0.000	-1.164	-1.658
H4	-1.008	0.582	-1.658
H5	1.008	0.582	-1.658
H6	0.000	1.235	1.201
H7	-1.070	-0.618	1.201
H8	1.070	-0.618	1.201

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9185	1.1991	1.1991	1.1991	2.8529	2.8529	2.8529
P2	1.9185		2.4940	2.4940	2.4940	1.3973	1.3973	1.3973
H3	1.1991	2.4940		2.0164	2.0164	3.7323	3.1009	3.1009
H4	1.1991	2.4940	2.0164		2.0164	3.1009	3.1009	3.7323
H5	1.1991	2.4940	2.0164	2.0164		3.1009	3.7323	3.1009
H6	2.8529	1.3973	3.7323	3.1009	3.1009		2.1396	2.1396
H7	2.8529	1.3973	3.1009	3.1009	3.7323	2.1396		2.1396
H8	2.8529	1.3973	3.1009	3.7323	3.1009	2.1396	2.1396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.866	B1	P2	H7	117.866
B1	P2	H8	117.866	P2	B1	H3	103.853
P2	B1	H4	103.853	P2	B1	H5	103.853
H3	B1	H4	114.457	H3	B1	H5	114.457
H4	B1	H5	114.457	H6	P2	H7	99.921
H6	P2	H8	99.921	H7	P2	H8	99.921

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

using model chemistry: MP4=FULL/cc-pV(T+d)Z

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: MP4=FULL/cc-pV(T+d)Z

States and conformations

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