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	hartrees
Energy at 0K	-369.172183
Energy at 298.15K	-369.178774
HF Energy	-368.863847
Nuclear repulsion energy	59.097392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2559	2559
2	A₁	2515	2515
3	A₁	1150	1150
4	A₁	1070	1070
5	A₁	528	528
6	A₂	252	252
7	E	2603	2603
7	E	2603	2603
8	E	2573	2573
8	E	2572	2572
9	E	1191	1191
9	E	1191	1191
10	E	1157	1157
10	E	1156	1156
11	E	880	880
11	E	880	880
12	E	396	396
12	E	395	395

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.395
P2	0.000	0.000	0.559
H3	0.000	-1.170	-1.678
H4	-1.013	0.585	-1.678
H5	1.013	0.585	-1.678
H6	0.000	1.238	1.208
H7	-1.072	-0.619	1.208
H8	1.072	-0.619	1.208

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9534	1.2035	1.2035	1.2035	2.8817	2.8817	2.8817
P2	1.9534		2.5242	2.5242	2.5242	1.3979	1.3979	1.3979
H3	1.2035	2.5242		2.0258	2.0258	3.7582	3.1272	3.1272
H4	1.2035	2.5242	2.0258		2.0258	3.1272	3.1272	3.7582
H5	1.2035	2.5242	2.0258	2.0258		3.1272	3.7582	3.1272
H6	2.8817	1.3979	3.7582	3.1272	3.1272		2.1447	2.1447
H7	2.8817	1.3979	3.1272	3.1272	3.7582	2.1447		2.1447
H8	2.8817	1.3979	3.1272	3.7582	3.1272	2.1447	2.1447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.649	B1	P2	H7	117.649
B1	P2	H8	117.649	P2	B1	H3	103.622
P2	B1	H4	103.622	P2	B1	H5	103.622
H3	B1	H4	114.632	H3	B1	H5	114.632
H4	B1	H5	114.632	H6	P2	H7	100.194
H6	P2	H8	100.194	H7	P2	H8	100.194

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

using model chemistry: QCISD(T)=FULL/6-31+G**

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/6-31+G**

States and conformations

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