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	hartrees
Energy at 0K	-138.354074
Energy at 298.15K
HF Energy	-138.354074
Nuclear repulsion energy	55.754645

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	2592	2340	13.97	175.82	0.00	0.01
2	A₁	2374	2143	303.80	67.38	0.25	0.40
3	A₁	1215	1096	37.30	22.33	0.64	0.78
4	A₁	562	507	4.16	1.60	0.49	0.65
5	E	2663	2404	79.47	80.20	0.75	0.86
5	E	2663	2404	79.47	80.20	0.75	0.86
6	E	1250	1128	0.00	27.83	0.75	0.86
6	E	1250	1128	0.00	27.83	0.75	0.86
7	E	967	872	0.38	0.19	0.75	0.86
7	E	967	872	0.38	0.19	0.75	0.86
8	E	367	332	31.82	1.09	0.75	0.86
8	E	367	332	31.82	1.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.395
C2	0.000	0.000	0.219
O3	0.000	0.000	1.341
H4	0.000	1.166	-1.689
H5	1.010	-0.583	-1.689
H6	-1.010	-0.583	-1.689

	B1	C2	O3	H4	H5	H6
B1		1.6140	2.7365	1.2028	1.2028	1.2028
C2	1.6140		1.1225	2.2362	2.2362	2.2362
O3	2.7365	1.1225		3.2472	3.2472	3.2472
H4	1.2028	2.2362	3.2472		2.0201	2.0201
H5	1.2028	2.2362	3.2472	2.0201		2.0201
H6	1.2028	2.2362	3.2472	2.0201	2.0201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.150
C2	B1	H5	104.150	C2	B1	H6	104.150
H4	B1	H5	114.227	H4	B1	H6	114.227
H5	B1	H6	114.227

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

using model chemistry: HF/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	-0.061
2	C	0.471
3	O	-0.424
4	H	0.005
5	H	0.005
6	H	0.005

	x	y	z	Total
	0.000	0.000	2.065	2.065
CHELPG
AIM
ESP

<r²>	50.464
(<r²>)^1/2	7.104

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

using model chemistry: HF/3-21G*

States and conformations

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