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	hartrees
Energy at 0K	-139.902883
Energy at 298.15K
HF Energy	-139.902883
Nuclear repulsion energy	56.339696

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	2533	2408	1.97	164.29	0.00	0.00
2	A₁	2297	2183	442.39	74.81	0.27	0.42
3	A₁	1099	1044	7.92	19.65	0.61	0.76
4	A₁	710	675	27.69	1.23	0.15	0.27
5	E	2618	2488	40.28	86.34	0.75	0.86
5	E	2618	2488	40.25	86.37	0.75	0.86
6	E	1142	1085	0.05	23.29	0.75	0.86
6	E	1142	1085	0.06	23.23	0.75	0.86
7	E	833	792	2.44	0.11	0.75	0.86
7	E	833	792	2.44	0.11	0.75	0.86
8	E	295	281	10.65	0.47	0.75	0.86
8	E	295	281	10.74	0.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.358
C2	0.000	0.000	0.191
O3	0.000	0.000	1.322
H4	0.000	1.170	-1.644
H5	1.013	-0.585	-1.644
H6	-1.013	-0.585	-1.644

	B1	C2	O3	H4	H5	H6
B1		1.5485	2.6798	1.2042	1.2042	1.2042
C2	1.5485		1.1312	2.1762	2.1762	2.1762
O3	2.6798	1.1312		3.1886	3.1886	3.1886
H4	1.2042	2.1762	3.1886		2.0258	2.0258
H5	1.2042	2.1762	3.1886	2.0258		2.0258
H6	1.2042	2.1762	3.1886	2.0258	2.0258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.769
C2	B1	H5	103.769	C2	B1	H6	103.769
H4	B1	H5	114.521	H4	B1	H6	114.521
H5	B1	H6	114.521

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

using model chemistry: M06-2X/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	-0.161
2	C	0.460
3	O	-0.236
4	H	-0.021
5	H	-0.021
6	H	-0.021

	x	y	z	Total
	0.000	0.000	1.667	1.667
CHELPG
AIM
ESP

	x	y	z
x	3.297	0.000	0.000
y	0.000	3.296	0.001
z	0.000	0.001	5.668

<r²>	48.070
(<r²>)^1/2	6.933

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

using model chemistry: M06-2X/6-31G**

States and conformations

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