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	hartrees
Energy at 0K	-139.944465
Energy at 298.15K	-139.946660
HF Energy	-139.944465
Nuclear repulsion energy	56.351271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2390	2390	1.10
2	A₁	2132	2132	446.70
3	A₁	1050	1050	0.49
4	A₁	749	749	24.68
5	E	2454	2454	37.57
5	E	2454	2454	37.56
6	E	1076	1076	0.01
6	E	1076	1076	0.01
7	E	794	794	3.58
7	E	793	793	3.58
8	E	289	289	3.70
8	E	289	289	3.71

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.340
C2	0.000	0.000	0.182
O3	0.000	0.000	1.321
H4	0.000	1.173	-1.653
H5	1.016	-0.587	-1.653
H6	-1.016	-0.587	-1.653

	B1	C2	O3	H4	H5	H6
B1		1.5213	2.6605	1.2145	1.2145	1.2145
C2	1.5213		1.1392	2.1777	2.1777	2.1777
O3	2.6605	1.1392		3.1969	3.1969	3.1969
H4	1.2145	2.1777	3.1969		2.0325	2.0325
H5	1.2145	2.1777	3.1969	2.0325		2.0325
H6	1.2145	2.1777	3.1969	2.0325	2.0325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.945
C2	B1	H5	104.945	C2	B1	H6	104.945
H4	B1	H5	113.593	H4	B1	H6	113.593
H5	B1	H6	113.593

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

using model chemistry: B97D3/cc-pCVTZ

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	-0.287
2	C	0.288
3	O	-0.073
4	H	0.024
5	H	0.024
6	H	0.024

	x	y	z	Total
	0.000	0.000	1.271	1.271
CHELPG
AIM
ESP

	x	y	z
x	3.995	0.000	0.000
y	0.000	3.995	-0.000
z	0.000	-0.000	6.731

<r²>	47.879
(<r²>)^1/2	6.919

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

using model chemistry: B97D3/cc-pCVTZ

States and conformations

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