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	hartrees
Energy at 0K	-139.133878
Energy at 298.15K
HF Energy	-139.133878
Nuclear repulsion energy	56.019395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2493	2396	0.10
2	A₁	2144	2061	391.01
3	A₁	1088	1046	2.97
4	A₁	805	774	22.34
5	E	2569	2469	18.19
5	E	2569	2469	18.19
6	E	1120	1076	2.16
6	E	1120	1076	2.16
7	E	836	804	5.32
7	E	836	804	5.32
8	E	346	333	8.53
8	E	346	333	8.53

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.337
C2	0.000	0.000	0.177
O3	0.000	0.000	1.332
H4	0.000	1.164	-1.677
H5	1.008	-0.582	-1.677
H6	-1.008	-0.582	-1.677

	B1	C2	O3	H4	H5	H6
B1		1.5143	2.6695	1.2130	1.2130	1.2130
C2	1.5143		1.1552	2.1894	2.1894	2.1894
O3	2.6695	1.1552		3.2267	3.2267	3.2267
H4	1.2130	2.1894	3.2267		2.0169	2.0169
H5	1.2130	2.1894	3.2267	2.0169		2.0169
H6	1.2130	2.1894	3.2267	2.0169	2.0169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	106.267
C2	B1	H5	106.267	C2	B1	H6	106.267
H4	B1	H5	112.477	H4	B1	H6	112.477
H5	B1	H6	112.477

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

using model chemistry: B3PW91/3-21G

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	-0.263
2	C	0.346
3	O	-0.335
4	H	0.084
5	H	0.084
6	H	0.084

	x	y	z	Total
	0.000	0.000	1.450	1.450
CHELPG
AIM
ESP

<r²>	48.452
(<r²>)^1/2	6.961

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

using model chemistry: B3PW91/3-21G

States and conformations

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