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	hartrees
Energy at 0K	-369.191474
Energy at 298.15K	-369.198012
HF Energy	-368.890265
Nuclear repulsion energy	58.718757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2526	2413	23.42
2	A₁	2491	2379	58.31
3	A₁	1141	1090	36.21
4	A₁	1056	1009	234.61
5	A₁	497	475	0.04
6	A₂	233	222	0.00
7	E	2576	2461	152.28
7	E	2576	2461	152.28
8	E	2532	2419	6.94
8	E	2532	2419	6.94
9	E	1192	1138	8.03
9	E	1192	1138	8.03
10	E	1166	1114	7.21
10	E	1166	1114	7.21
11	E	867	828	1.26
11	E	867	828	1.26
12	E	391	373	2.26
12	E	391	373	2.26

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.408
P2	0.000	0.000	0.563
H3	0.000	-1.173	-1.688
H4	-1.016	0.586	-1.688
H5	1.016	0.586	-1.688
H6	0.000	1.244	1.217
H7	-1.078	-0.622	1.217
H8	1.078	-0.622	1.217

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9712	1.2059	1.2059	1.2059	2.9050	2.9050	2.9050
P2	1.9712		2.5384	2.5384	2.5384	1.4056	1.4056	1.4056
H3	1.2059	2.5384		2.0317	2.0317	3.7790	3.1469	3.1469
H4	1.2059	2.5384	2.0317		2.0317	3.1469	3.1469	3.7790
H5	1.2059	2.5384	2.0317	2.0317		3.1469	3.7790	3.1469
H6	2.9050	1.4056	3.7790	3.1469	3.1469		2.1551	2.1551
H7	2.9050	1.4056	3.1469	3.1469	3.7790	2.1551		2.1551
H8	2.9050	1.4056	3.1469	3.7790	3.1469	2.1551	2.1551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.718	B1	P2	H7	117.718
B1	P2	H8	117.718	P2	B1	H3	103.419
P2	B1	H4	103.419	P2	B1	H5	103.419
H3	B1	H4	114.785	H3	B1	H5	114.785
H4	B1	H5	114.785	H6	P2	H7	100.107
H6	P2	H8	100.107	H7	P2	H8	100.107

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

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

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