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	hartrees
Energy at 0K	-139.706835
Energy at 298.15K
HF Energy	-139.192680
Nuclear repulsion energy	56.400550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2481	2339	4.46
2	A₁	2271	2141	359.79
3	A₁	1125	1061	24.13
4	A₁	677	639	26.97
5	E	2557	2412	64.46
5	E	2557	2412	64.46
6	E	1157	1091	0.21
6	E	1157	1091	0.21
7	E	854	806	1.46
7	E	854	806	1.46
8	E	312	295	9.57
8	E	312	295	9.57

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.362
C2	0.000	0.000	0.198
O3	0.000	0.000	1.321
H4	0.000	1.170	-1.648
H5	1.014	-0.585	-1.648
H6	-1.014	-0.585	-1.648

	B1	C2	O3	H4	H5	H6
B1		1.5592	2.6823	1.2048	1.2048	1.2048
C2	1.5592		1.1231	2.1852	2.1852	2.1852
O3	2.6823	1.1231		3.1908	3.1908	3.1908
H4	1.2048	2.1852	3.1908		2.0271	2.0271
H5	1.2048	2.1852	3.1908	2.0271		2.0271
H6	1.2048	2.1852	3.1908	2.0271	2.0271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.738
C2	B1	H5	103.738	C2	B1	H6	103.738
H4	B1	H5	114.545	H4	B1	H6	114.545
H5	B1	H6	114.545

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

using model chemistry: CCSD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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