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	hartrees
Energy at 0K	-139.712456
Energy at 298.15K
HF Energy	-139.195658
Nuclear repulsion energy	56.381608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2491	2491	4.91
2	A₁	2287	2287	357.08
3	A₁	1128	1128	27.95
4	A₁	672	672	25.78
5	E	2573	2573	66.23
5	E	2573	2573	66.19
6	E	1160	1160	0.40
6	E	1160	1160	0.40
7	E	856	856	1.19
7	E	856	856	1.19
8	E	312	312	9.69
8	E	312	312	9.69

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.364
C2	0.000	0.000	0.199
O3	0.000	0.000	1.321
H4	0.000	1.171	-1.647
H5	1.014	-0.585	-1.647
H6	-1.014	-0.585	-1.647

	B1	C2	O3	H4	H5	H6
B1		1.5625	2.6851	1.2045	1.2045	1.2045
C2	1.5625		1.1226	2.1854	2.1854	2.1854
O3	2.6851	1.1226		3.1905	3.1905	3.1905
H4	1.2045	2.1854	3.1905		2.0279	2.0279
H5	1.2045	2.1854	3.1905	2.0279		2.0279
H6	1.2045	2.1854	3.1905	2.0279	2.0279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.577
C2	B1	H5	103.577	C2	B1	H6	103.577
H4	B1	H5	114.667	H4	B1	H6	114.667
H5	B1	H6	114.667

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

using model chemistry: CCD/daug-cc-pVTZ

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: CCD/daug-cc-pVTZ

States and conformations

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