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	hartrees
Energy at 0K	-139.900728
Energy at 298.15K
HF Energy	-139.900728
Nuclear repulsion energy	56.320235

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	2544	2409	2.44	161.73	0.00	0.00
2	A₁	2298	2176	441.17	75.39	0.27	0.42
3	A₁	1101	1043	7.68	20.21	0.61	0.76
4	A₁	711	673	27.11	1.09	0.15	0.26
5	E	2627	2488	41.79	87.74	0.75	0.86
5	E	2627	2488	41.74	87.78	0.75	0.86
6	E	1144	1083	0.02	23.51	0.75	0.86
6	E	1144	1083	0.02	23.56	0.75	0.86
7	E	839	795	2.25	0.10	0.75	0.86
7	E	839	795	2.26	0.10	0.75	0.86
8	E	299	283	10.86	0.46	0.75	0.86
8	E	299	283	10.96	0.45	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	-1.646
H5	1.014	-0.585	-1.646
H6	-1.014	-0.585	-1.646

	B1	C2	O3	H4	H5	H6
B1		1.5492	2.6804	1.2053	1.2053	1.2053
C2	1.5492		1.1312	2.1784	2.1784	2.1784
O3	2.6804	1.1312		3.1909	3.1909	3.1909
H4	1.2053	2.1784	3.1909		2.0272	2.0272
H5	1.2053	2.1784	3.1909	2.0272		2.0272
H6	1.2053	2.1784	3.1909	2.0272	2.0272

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.831
C2	B1	H5	103.831	C2	B1	H6	103.831
H4	B1	H5	114.473	H4	B1	H6	114.473
H5	B1	H6	114.473

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	-0.268
2	C	0.469
3	O	-0.235
4	H	0.011
5	H	0.011
6	H	0.011

	x	y	z	Total
	0.000	0.000	1.693	1.693
CHELPG
AIM
ESP

	x	y	z
x	3.270	0.000	0.000
y	0.000	3.269	0.001
z	0.000	0.001	5.634

<r²>	48.121
(<r²>)^1/2	6.937

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)