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	hartrees
Energy at 0K	-139.713126
Energy at 298.15K
HF Energy	-139.199402
Nuclear repulsion energy	56.357281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2495	2495	5.35
2	A₁	2269	2269	344.97
3	A₁	1129	1129	25.17
4	A₁	676	676	26.40
5	E	2574	2574	66.43
5	E	2574	2574	66.43
6	E	1163	1163	0.28
6	E	1163	1163	0.28
7	E	857	857	1.43
7	E	857	857	1.43
8	E	313	313	10.02
8	E	313	313	10.02

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.363
C2	0.000	0.000	0.198
O3	0.000	0.000	1.322
H4	0.000	1.170	-1.649
H5	1.013	-0.585	-1.649
H6	-1.013	-0.585	-1.649

	B1	C2	O3	H4	H5	H6
B1		1.5611	2.6852	1.2043	1.2043	1.2043
C2	1.5611		1.1241	2.1862	2.1862	2.1862
O3	2.6852	1.1241		3.1929	3.1929	3.1929
H4	1.2043	2.1862	3.1929		2.0264	2.0264
H5	1.2043	2.1862	3.1929	2.0264		2.0264
H6	1.2043	2.1862	3.1929	2.0264	2.0264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.721
C2	B1	H5	103.721	C2	B1	H6	103.721
H4	B1	H5	114.558	H4	B1	H6	114.558
H5	B1	H6	114.558

All results from a given calculation for BH₃CO (Borane carbonyl)

using model chemistry: CCSD/Def2TZVPP

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 BH3CO (Borane carbonyl)

using model chemistry: CCSD/Def2TZVPP

States and conformations

All results from a given calculation for BH₃CO (Borane carbonyl)