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	hartrees
Energy at 0K	-139.747420
Energy at 298.15K
HF Energy	-139.204383
Nuclear repulsion energy	56.484513

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2490	2367	4.32
2	A₁	2275	2162	356.80
3	A₁	1125	1069	23.78
4	A₁	681	647	27.37
5	E	2569	2442	63.39
5	E	2569	2442	63.39
6	E	1157	1099	0.32
6	E	1157	1099	0.32
7	E	853	811	1.51
7	E	853	811	1.51
8	E	313	298	9.67
8	E	313	298	9.67

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.360
C2	0.000	0.000	0.197
O3	0.000	0.000	1.319
H4	0.000	1.169	-1.644
H5	1.013	-0.585	-1.644
H6	-1.013	-0.585	-1.644

	B1	C2	O3	H4	H5	H6
B1		1.5566	2.6782	1.2035	1.2035	1.2035
C2	1.5566		1.1215	2.1810	2.1810	2.1810
O3	2.6782	1.1215		3.1850	3.1850	3.1850
H4	1.2035	2.1810	3.1850		2.0254	2.0254
H5	1.2035	2.1810	3.1850	2.0254		2.0254
H6	1.2035	2.1810	3.1850	2.0254	2.0254

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.670
C2	B1	H5	103.670	C2	B1	H6	103.670
H4	B1	H5	114.597	H4	B1	H6	114.597
H5	B1	H6	114.597

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

using model chemistry: CCSD/cc-pVQZ

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/cc-pVQZ

States and conformations

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