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	hartrees
Energy at 0K	-12.697764
Energy at 298.15K	-12.704223
HF Energy	-12.494991
Nuclear repulsion energy	21.177526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2502	2384	48.07
2	A₁	2470	2353	40.63
3	A₁	1133	1079	62.64
4	A₁	1029	980	190.88
5	A₁	493	470	0.66
6	A₂	232	221	0.00
7	E	2606	2483	159.31
7	E	2606	2483	159.31
8	E	2504	2386	15.77
8	E	2504	2386	15.77
9	E	1173	1118	5.54
9	E	1173	1118	5.54
10	E	1141	1087	5.34
10	E	1141	1087	5.34
11	E	861	820	0.68
11	E	861	820	0.68
12	E	371	353	1.31
12	E	371	353	1.31

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.423
P2	0.000	0.000	0.566
H3	0.000	-1.176	-1.697
H4	-1.019	0.588	-1.697
H5	1.019	0.588	-1.697
H6	0.000	1.255	1.235
H7	-1.087	-0.627	1.235
H8	1.087	-0.627	1.235

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9890	1.2077	1.2077	1.2077	2.9388	2.9388	2.9388
P2	1.9890		2.5504	2.5504	2.5504	1.4216	1.4216	1.4216
H3	1.2077	2.5504		2.0372	2.0372	3.8083	3.1742	3.1742
H4	1.2077	2.5504	2.0372		2.0372	3.1742	3.1742	3.8083
H5	1.2077	2.5504	2.0372	2.0372		3.1742	3.8083	3.1742
H6	2.9388	1.4216	3.8083	3.1742	3.1742		2.1731	2.1731
H7	2.9388	1.4216	3.1742	3.1742	3.8083	2.1731		2.1731
H8	2.9388	1.4216	3.1742	3.8083	3.1742	2.1731	2.1731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.048	B1	P2	H7	118.048
B1	P2	H8	118.048	P2	B1	H3	103.114
P2	B1	H4	103.114	P2	B1	H5	103.114
H3	B1	H4	115.010	H3	B1	H5	115.010
H4	B1	H5	115.010	H6	P2	H7	99.692
H6	P2	H8	99.692	H7	P2	H8	99.692

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

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

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