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	hartrees
Energy at 0K	-139.202908
Energy at 298.15K	-139.205061
HF Energy	-139.202908
Nuclear repulsion energy	56.585795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2434	2397	1.65
2	A₁	2180	2147	525.49
3	A₁	1036	1021	10.59
4	A₁	825	812	12.40
5	E	2519	2481	12.64
5	E	2519	2481	12.64
6	E	1026	1010	1.88
6	E	1026	1010	1.88
7	E	754	743	10.38
7	E	754	743	10.38
8	E	287	283	1.59
8	E	287	283	1.59

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.316
C2	0.000	0.000	0.166
O3	0.000	0.000	1.315
H4	0.000	1.171	-1.645
H5	1.014	-0.586	-1.645
H6	-1.014	-0.586	-1.645

	B1	C2	O3	H4	H5	H6
B1		1.4821	2.6307	1.2164	1.2164	1.2164
C2	1.4821		1.1486	2.1569	2.1569	2.1569
O3	2.6307	1.1486		3.1831	3.1831	3.1831
H4	1.2164	2.1569	3.1831		2.0283	2.0283
H5	1.2164	2.1569	3.1831	2.0283		2.0283
H6	1.2164	2.1569	3.1831	2.0283	2.0283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	105.701
C2	B1	H5	105.701	C2	B1	H6	105.701
H4	B1	H5	112.964	H4	B1	H6	112.964
H5	B1	H6	112.964

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

using model chemistry: LSDA/6-31+G**

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	-0.363
2	C	0.343
3	O	-0.166
4	H	0.062
5	H	0.062
6	H	0.062

	x	y	z	Total
	0.000	0.000	0.826	0.826
CHELPG
AIM
ESP

<r²>	47.309
(<r²>)^1/2	6.878

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

using model chemistry: LSDA/6-31+G**

States and conformations

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