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	hartrees
Energy at 0K	-139.197401
Energy at 298.15K	-139.199559
HF Energy	-139.197401
Nuclear repulsion energy	56.605733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2443	2397	2.26
2	A₁	2196	2155	461.29
3	A₁	1041	1022	11.05
4	A₁	829	813	11.65
5	E	2530	2483	9.63
5	E	2530	2483	9.63
6	E	1035	1015	1.30
6	E	1035	1015	1.30
7	E	759	745	11.48
7	E	759	745	11.48
8	E	287	282	2.11
8	E	287	282	2.11

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	1.314
H4	0.000	1.171	-1.644
H5	1.014	-0.585	-1.644
H6	-1.014	-0.585	-1.644

	B1	C2	O3	H4	H5	H6
B1		1.4827	2.6306	1.2155	1.2155	1.2155
C2	1.4827		1.1479	2.1558	2.1558	2.1558
O3	2.6306	1.1479		3.1814	3.1814	3.1814
H4	1.2155	2.1558	3.1814		2.0274	2.0274
H5	1.2155	2.1558	3.1814	2.0274		2.0274
H6	1.2155	2.1558	3.1814	2.0274	2.0274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	105.639
C2	B1	H5	105.639	C2	B1	H6	105.639
H4	B1	H5	113.016	H4	B1	H6	113.016
H5	B1	H6	113.016

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

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

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	-0.352
2	C	0.445
3	O	-0.206
4	H	0.038
5	H	0.038
6	H	0.038

	x	y	z	Total
	0.000	0.000	0.997	0.997
CHELPG
AIM
ESP

<r²>	46.943
(<r²>)^1/2	6.852

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

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

States and conformations

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