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	hartrees
Energy at 0K	-139.234442
Energy at 298.15K	-139.236631
HF Energy	-139.234442
Nuclear repulsion energy	56.908110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2409	2370	1.67
2	A₁	2198	2162	512.21
3	A₁	1036	1019	10.14
4	A₁	826	812	13.38
5	E	2492	2452	10.91
5	E	2492	2452	10.91
6	E	1030	1013	0.88
6	E	1030	1013	0.88
7	E	763	751	10.11
7	E	763	751	10.11
8	E	299	294	1.68
8	E	299	294	1.68

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.309
C2	0.000	0.000	0.169
O3	0.000	0.000	1.306
H4	0.000	1.170	-1.639
H5	1.013	-0.585	-1.639
H6	-1.013	-0.585	-1.639

	B1	C2	O3	H4	H5	H6
B1		1.4781	2.6156	1.2156	1.2156	1.2156
C2	1.4781		1.1375	2.1531	2.1531	2.1531
O3	2.6156	1.1375		3.1689	3.1689	3.1689
H4	1.2156	2.1531	3.1689		2.0268	2.0268
H5	1.2156	2.1531	3.1689	2.0268		2.0268
H6	1.2156	2.1531	3.1689	2.0268	2.0268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	105.717
C2	B1	H5	105.717	C2	B1	H6	105.717
H4	B1	H5	112.950	H4	B1	H6	112.950
H5	B1	H6	112.950

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

using model chemistry: LSDA/6-311G*

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	-0.494
2	C	0.224
3	O	-0.096
4	H	0.122
5	H	0.122
6	H	0.122

	x	y	z	Total
	0.000	0.000	1.032	1.032
CHELPG
AIM
ESP

<r²>	46.957
(<r²>)^1/2	6.853

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

using model chemistry: LSDA/6-311G*

States and conformations

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