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	hartrees
Energy at 0K	-139.150989
Energy at 298.15K
HF Energy	-139.150989
Nuclear repulsion energy	55.572501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2444	2431	0.05	157.31	0.00	0.00
2	A₁	2044	2033	336.62	33.67	0.27	0.43
3	A₁	1064	1058	4.48	24.01	0.72	0.84
4	A₁	793	788	17.60	10.41	0.27	0.43
5	E	2502	2489	17.85	96.79	0.75	0.86
5	E	2502	2489	17.85	96.79	0.75	0.86
6	E	1093	1087	1.66	24.18	0.75	0.86
6	E	1093	1087	1.66	24.18	0.75	0.86
7	E	820	815	4.70	0.08	0.75	0.86
7	E	820	815	4.70	0.08	0.75	0.86
8	E	339	337	5.46	0.32	0.75	0.86
8	E	339	337	5.46	0.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.344
C2	0.000	0.000	0.175
O3	0.000	0.000	1.344
H4	0.000	1.167	-1.694
H5	1.011	-0.583	-1.694
H6	-1.011	-0.583	-1.694

	B1	C2	O3	H4	H5	H6
B1		1.5193	2.6885	1.2182	1.2182	1.2182
C2	1.5193		1.1692	2.2035	2.2035	2.2035
O3	2.6885	1.1692		3.2548	3.2548	3.2548
H4	1.2182	2.2035	3.2548		2.0211	2.0211
H5	1.2182	2.2035	3.2548	2.0211		2.0211
H6	1.2182	2.2035	3.2548	2.0211	2.0211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	106.691
C2	B1	H5	106.691	C2	B1	H6	106.691
H4	B1	H5	112.103	H4	B1	H6	112.103
H5	B1	H6	112.103

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

using model chemistry: BLYP/3-21G

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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Number	Element	Mulliken
1	B	-0.247
2	C	0.319
3	O	-0.300
4	H	0.076
5	H	0.076
6	H	0.076

	x	y	z	Total
	0.000	0.000	1.422	1.422
CHELPG
AIM
ESP

<r²>	48.869
(<r²>)^1/2	6.991

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

using model chemistry: BLYP/3-21G

States and conformations

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