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	hartrees
Energy at 0K	-139.972130
Energy at 298.15K
HF Energy	-139.972130
Nuclear repulsion energy	56.766010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2516	2516	1.19
2	A₁	2287	2287	481.08
3	A₁	1101	1101	9.93
4	A₁	721	721	30.28
5	E	2593	2593	42.48
5	E	2592	2592	42.36
6	E	1139	1139	0.05
6	E	1139	1139	0.04
7	E	834	834	3.22
7	E	834	834	3.23
8	E	305	305	7.07
8	E	305	305	7.17

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.347
C2	0.000	0.000	0.191
O3	0.000	0.000	1.311
H4	0.000	1.166	-1.633
H5	1.010	-0.583	-1.633
H6	-1.010	-0.583	-1.633

	B1	C2	O3	H4	H5	H6
B1		1.5379	2.6582	1.2006	1.2006	1.2006
C2	1.5379		1.1203	2.1649	2.1649	2.1649
O3	2.6582	1.1203		3.1668	3.1668	3.1668
H4	1.2006	2.1649	3.1668		2.0195	2.0195
H5	1.2006	2.1649	3.1668	2.0195		2.0195
H6	1.2006	2.1649	3.1668	2.0195	2.0195

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.788
C2	B1	H5	103.788	C2	B1	H6	103.788
H4	B1	H5	114.506	H4	B1	H6	114.506
H5	B1	H6	114.506

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

using model chemistry: M06-2X/cc-pCVQZ

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	-0.791
2	C	0.489
3	O	-0.074
4	H	0.125
5	H	0.125
6	H	0.125

	x	y	z	Total
	0.000	0.000	1.535	1.535
CHELPG
AIM
ESP

<r²>	47.692
(<r²>)^1/2	6.906

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

using model chemistry: M06-2X/cc-pCVQZ

States and conformations

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