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	hartrees
Energy at 0K	-369.578901
Energy at 298.15K	-369.573249
HF Energy	-368.853655
Nuclear repulsion energy	58.194296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2697	2541	38.25
2	A₁	2570	2422	85.06
3	A₁	1219	1149	42.94
4	A₁	1135	1070	317.48
5	A₁	423	399	9.28
6	A₂	224	211	0.00
7	E	2702	2546	99.99
7	E	2702	2546	99.99
8	E	2635	2483	150.39
8	E	2635	2483	150.39
9	E	1268	1194	26.42
9	E	1268	1194	26.42
10	E	1251	1179	5.22
10	E	1251	1179	5.22
11	E	924	871	1.19
11	E	924	871	1.19
12	E	410	387	4.55
12	E	410	387	4.55

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.387
P2	0.000	0.000	0.556
H3	0.000	-1.171	-1.678
H4	-1.014	0.585	-1.678
H5	1.014	0.585	-1.678
H6	0.000	1.243	1.209
H7	-1.076	-0.621	1.209
H8	1.076	-0.621	1.209

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9433	1.2063	1.2063	1.2063	2.8785	2.8785	2.8785
P2	1.9433		2.5219	2.5219	2.5219	1.4038	1.4038	1.4038
H3	1.2063	2.5219		2.0280	2.0280	3.7627	3.1294	3.1294
H4	1.2063	2.5219	2.0280		2.0280	3.1294	3.1294	3.7627
H5	1.2063	2.5219	2.0280	2.0280		3.1294	3.7627	3.1294
H6	2.8785	1.4038	3.7627	3.1294	3.1294		2.1521	2.1521
H7	2.8785	1.4038	3.1294	3.1294	3.7627	2.1521		2.1521
H8	2.8785	1.4038	3.1294	3.7627	3.1294	2.1521	2.1521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.411	B1	P2	H7	117.411
B1	P2	H8	117.411	P2	B1	H3	103.190
P2	B1	H4	103.190	P2	B1	H5	103.190
H3	B1	H4	114.955	H3	B1	H5	114.955
H4	B1	H5	114.955	H6	P2	H7	100.492
H6	P2	H8	100.492	H7	P2	H8	100.492

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

using model chemistry: G3

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: G3

States and conformations

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