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	hartrees
Energy at 0K	-369.192252
Energy at 298.15K	-369.198849
HF Energy	-368.890436
Nuclear repulsion energy	58.966250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2548	2548	34.70
2	A₁	2475	2475	51.31
3	A₁	1148	1148	16.41
4	A₁	1069	1069	249.67
5	A₁	527	527	0.01
6	A₂	238	238	0.00
7	E	2564	2564	130.46
7	E	2564	2564	130.46
8	E	2545	2545	28.95
8	E	2545	2545	28.95
9	E	1191	1191	13.25
9	E	1191	1191	13.25
10	E	1173	1173	5.11
10	E	1173	1173	5.11
11	E	875	875	1.63
11	E	875	875	1.63
12	E	402	402	3.66
12	E	402	402	3.66

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.395
P2	0.000	0.000	0.560
H3	0.000	-1.173	-1.683
H4	-1.016	0.587	-1.683
H5	1.016	0.587	-1.683
H6	0.000	1.243	1.207
H7	-1.077	-0.622	1.207
H8	1.077	-0.622	1.207

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9558	1.2084	1.2084	1.2084	2.8837	2.8837	2.8837
P2	1.9558		2.5323	2.5323	2.5323	1.4012	1.4012	1.4012
H3	1.2084	2.5323		2.0325	2.0325	3.7674	3.1331	3.1331
H4	1.2084	2.5323	2.0325		2.0325	3.1331	3.1331	3.7674
H5	1.2084	2.5323	2.0325	2.0325		3.1331	3.7674	3.1331
H6	2.8837	1.4012	3.7674	3.1331	3.1331		2.1535	2.1535
H7	2.8837	1.4012	3.1331	3.1331	3.7674	2.1535		2.1535
H8	2.8837	1.4012	3.1331	3.7674	3.1331	2.1535	2.1535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.457	B1	P2	H7	117.457
B1	P2	H8	117.457	P2	B1	H3	103.797
P2	B1	H4	103.797	P2	B1	H5	103.797
H3	B1	H4	114.500	H3	B1	H5	114.500
H4	B1	H5	114.500	H6	P2	H7	100.433
H6	P2	H8	100.433	H7	P2	H8	100.433

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

using model chemistry: CCSD/6-311G**

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/6-311G**

States and conformations

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