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	hartrees
Energy at 0K	-137.358977
Energy at 298.15K	-137.361149
HF Energy	-137.358977
Nuclear repulsion energy	55.671582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2802	2510	46.75
2	A₁	2184	1955	139.86
3	A₁	1205	1079	8.09
4	A₁	889	796	26.88
5	E	2943	2635	12.88
5	E	2943	2635	12.88
6	E	1234	1105	1.42
6	E	1234	1105	1.42
7	E	870	779	18.27
7	E	870	779	18.27
8	E	305	273	0.79
8	E	305	273	0.79

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.336
C2	0.000	0.000	0.150
O3	0.000	0.000	1.349
H4	0.000	1.134	-1.670
H5	0.982	-0.567	-1.670
H6	-0.982	-0.567	-1.670

	B1	C2	O3	H4	H5	H6
B1		1.4852	2.6840	1.1817	1.1817	1.1817
C2	1.4852		1.1989	2.1434	2.1434	2.1434
O3	2.6840	1.1989		3.2239	3.2239	3.2239
H4	1.1817	2.1434	3.2239		1.9633	1.9633
H5	1.1817	2.1434	3.2239	1.9633		1.9633
H6	1.1817	2.1434	3.2239	1.9633	1.9633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	106.417
C2	B1	H5	106.417	C2	B1	H6	106.417
H4	B1	H5	112.345	H4	B1	H6	112.345
H5	B1	H6	112.345

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

using model chemistry: LSDA/STO-3G

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	-0.226
2	C	0.211
3	O	-0.038
4	H	0.018
5	H	0.018
6	H	0.018

	x	y	z	Total
	0.000	0.000	1.837	1.837
CHELPG
AIM
ESP

<r²>	46.919
(<r²>)^1/2	6.850

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

using model chemistry: LSDA/STO-3G

States and conformations

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