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	hartrees
Energy at 0K	-25.521061
Energy at 298.15K
HF Energy	-25.521061
Nuclear repulsion energy	29.049076

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	2532	2311	15.63	301.52	0.00	0.01
2	A₁	2278	2078	426.70	89.63	0.28	0.44
3	A₁	1195	1091	52.23	17.98	0.50	0.67
4	A₁	537	490	4.13	2.34	0.56	0.72
5	E	2620	2391	155.26	109.13	0.75	0.86
5	E	2620	2391	155.26	109.13	0.75	0.86
6	E	1204	1098	0.51	25.39	0.75	0.86
6	E	1204	1098	0.51	25.39	0.75	0.86
7	E	943	860	0.04	0.07	0.75	0.86
7	E	943	860	0.04	0.07	0.75	0.86
8	E	328	300	26.68	0.53	0.75	0.86
8	E	328	300	26.68	0.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.405
C2	0.000	0.000	0.216
O3	0.000	0.000	1.351
H4	0.000	1.173	-1.692
H5	1.016	-0.586	-1.692
H6	-1.016	-0.586	-1.692

	B1	C2	O3	H4	H5	H6
B1		1.6218	2.7561	1.2075	1.2075	1.2075
C2	1.6218		1.1343	2.2401	2.2401	2.2401
O3	2.7561	1.1343		3.2611	3.2611	3.2611
H4	1.2075	2.2401	3.2611		2.0316	2.0316
H5	1.2075	2.2401	3.2611	2.0316		2.0316
H6	1.2075	2.2401	3.2611	2.0316	2.0316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.738
C2	B1	H5	103.738	C2	B1	H6	103.738
H4	B1	H5	114.545	H4	B1	H6	114.545
H5	B1	H6	114.545

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

using model chemistry: HF/CEP-121G

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	-0.217
2	C	0.363
3	O	-0.063
4	H	-0.028
5	H	-0.028
6	H	-0.028

	x	y	z	Total
	0.000	0.000	1.781	1.781
CHELPG
AIM
ESP

<r²>	43.106
(<r²>)^1/2	6.566

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

using model chemistry: HF/CEP-121G

States and conformations

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