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	hartrees
Energy at 0K	-139.711274
Energy at 298.15K	-139.713556
HF Energy	-139.195297
Nuclear repulsion energy	56.384640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2490	2383	4.88
2	A₁	2286	2187	358.07
3	A₁	1128	1079	27.90
4	A₁	671	642	25.93
5	E	2573	2462	66.27
5	E	2573	2462	66.27
6	E	1161	1111	0.40
6	E	1161	1111	0.40
7	E	856	820	1.21
7	E	856	820	1.21
8	E	312	298	9.71
8	E	312	298	9.71

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.364
C2	0.000	0.000	0.198
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		1.5623	2.6849	1.2044	1.2044	1.2044
C2	1.5623		1.1226	2.1854	2.1854	2.1854
O3	2.6849	1.1226		3.1905	3.1905	3.1905
H4	1.2044	2.1854	3.1905		2.0277	2.0277
H5	1.2044	2.1854	3.1905	2.0277		2.0277
H6	1.2044	2.1854	3.1905	2.0277	2.0277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.593
C2	B1	H5	103.593	C2	B1	H6	103.593
H4	B1	H5	114.655	H4	B1	H6	114.655
H5	B1	H6	114.655

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

using model chemistry: CCD/aug-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/aug-cc-pVTZ

States and conformations

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