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	hartrees
Energy at 0K	-139.160940
Energy at 298.15K
HF Energy	-139.160940
Nuclear repulsion energy	56.343488

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	2563	2321	27.00	156.07	0.01	0.01
2	A₁	2476	2242	341.60	62.96	0.20	0.34
3	A₁	1225	1109	68.83	9.67	0.57	0.73
4	A₁	566	512	5.84	0.15	0.75	0.86
5	E	2633	2385	107.31	74.97	0.75	0.86
5	E	2633	2385	107.31	74.97	0.75	0.86
6	E	1252	1134	2.30	16.95	0.75	0.86
6	E	1252	1134	2.30	16.95	0.75	0.86
7	E	945	855	0.32	0.35	0.75	0.86
7	E	945	855	0.32	0.35	0.75	0.86
8	E	334	303	20.96	0.28	0.75	0.86
8	E	334	303	20.96	0.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.390
C2	0.000	0.000	0.223
O3	0.000	0.000	1.324
H4	0.000	1.172	-1.661
H5	1.015	-0.586	-1.661
H6	-1.015	-0.586	-1.661

	B1	C2	O3	H4	H5	H6
B1		1.6137	2.7145	1.2030	1.2030	1.2030
C2	1.6137		1.1008	2.2190	2.2190	2.2190
O3	2.7145	1.1008		3.2069	3.2069	3.2069
H4	1.2030	2.2190	3.2069		2.0302	2.0302
H5	1.2030	2.2190	3.2069	2.0302		2.0302
H6	1.2030	2.2190	3.2069	2.0302	2.0302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	102.994
C2	B1	H5	102.994	C2	B1	H6	102.994
H4	B1	H5	115.098	H4	B1	H6	115.098
H5	B1	H6	115.098

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

using model chemistry: HF/6-31G(2df,p)

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	-0.233
2	C	0.470
3	O	-0.129
4	H	-0.036
5	H	-0.036
6	H	-0.036

	x	y	z	Total
	0.000	0.000	2.097	2.097
CHELPG
AIM
ESP

<r²>	49.186
(<r²>)^1/2	7.013

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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