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	hartrees
Energy at 0K	-26.195571
Energy at 298.15K
HF Energy	-26.195571
Nuclear repulsion energy	29.078413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2448	2364	3.12	168.22	0.00	0.00
2	A₁	2190	2115	475.56	77.76	0.23	0.38
3	A₁	1056	1020	3.10	18.07	0.53	0.69
4	A₁	706	682	18.62	2.75	0.30	0.46
5	E	2523	2437	60.86	112.66	0.75	0.86
5	E	2523	2437	60.89	112.68	0.75	0.86
6	E	1090	1053	0.05	14.89	0.75	0.86
6	E	1090	1053	0.05	14.89	0.75	0.86
7	E	804	777	3.02	1.26	0.75	0.86
7	E	804	777	3.01	1.26	0.75	0.86
8	E	283	274	6.67	1.35	0.75	0.86
8	E	283	273	6.68	1.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.371
C2	0.000	0.000	0.190
O3	0.000	0.000	1.344
H4	0.000	1.177	-1.680
H5	1.019	-0.588	-1.680
H6	-1.019	-0.588	-1.680

	B1	C2	O3	H4	H5	H6
B1		1.5616	2.7159	1.2166	1.2166	1.2166
C2	1.5616		1.1544	2.2093	2.2093	2.2093
O3	2.7159	1.1544		3.2450	3.2450	3.2450
H4	1.2166	2.2093	3.2450		2.0386	2.0386
H5	1.2166	2.2093	3.2450	2.0386		2.0386
H6	1.2166	2.2093	3.2450	2.0386	2.0386

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.671
C2	B1	H5	104.671	C2	B1	H6	104.671
H4	B1	H5	113.815	H4	B1	H6	113.815
H5	B1	H6	113.815

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

using model chemistry: B3LYP/CEP-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	-1.014
2	C	0.469
3	O	0.091
4	H	0.151
5	H	0.151
6	H	0.151

	x	y	z	Total
	0.000	0.000	1.455	1.455
CHELPG
AIM
ESP

<r²>	41.634
(<r²>)^1/2	6.452

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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