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	hartrees
Energy at 0K	-139.195388
Energy at 298.15K	-139.197563
HF Energy	-139.195388
Nuclear repulsion energy	56.577473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2448	2402	1.79
2	A₁	2197	2156	461.66
3	A₁	1045	1026	11.50
4	A₁	833	818	11.67
5	E	2533	2485	10.70
5	E	2533	2485	10.70
6	E	1040	1020	1.16
6	E	1040	1020	1.16
7	E	768	753	11.29
7	E	768	753	11.29
8	E	294	289	2.28
8	E	294	289	2.28

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.316
C2	0.000	0.000	0.167
O3	0.000	0.000	1.315
H4	0.000	1.171	-1.647
H5	1.014	-0.586	-1.647
H6	-1.014	-0.586	-1.647

	B1	C2	O3	H4	H5	H6
B1		1.4836	2.6314	1.2169	1.2169	1.2169
C2	1.4836		1.1478	2.1596	2.1596	2.1596
O3	2.6314	1.1478		3.1854	3.1854	3.1854
H4	1.2169	2.1596	3.1854		2.0283	2.0283
H5	1.2169	2.1596	3.1854	2.0283		2.0283
H6	1.2169	2.1596	3.1854	2.0283	2.0283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	105.779
C2	B1	H5	105.779	C2	B1	H6	105.779
H4	B1	H5	112.898	H4	B1	H6	112.898
H5	B1	H6	112.898

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	-0.446
2	C	0.461
3	O	-0.206
4	H	0.064
5	H	0.064
6	H	0.064

	x	y	z	Total
	0.000	0.000	1.023	1.023
CHELPG
AIM
ESP

<r²>	47.013
(<r²>)^1/2	6.857

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)