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	hartrees
Energy at 0K	-139.916836
Energy at 298.15K
HF Energy	-139.916836
Nuclear repulsion energy	56.392728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2475	2376	0.99
2	A₁	2219	2130	517.06
3	A₁	1074	1031	0.25
4	A₁	772	741	29.28
5	E	2551	2449	40.17
5	E	2551	2449	40.17
6	E	1100	1056	0.44
6	E	1100	1056	0.44
7	E	807	775	4.35
7	E	807	775	4.35
8	E	298	286	6.07
8	E	298	286	6.07

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.340
C2	0.000	0.000	0.180
O3	0.000	0.000	1.320
H4	0.000	1.170	-1.648
H5	1.014	-0.585	-1.648
H6	-1.014	-0.585	-1.648

	B1	C2	O3	H4	H5	H6
B1		1.5197	2.6598	1.2105	1.2105	1.2105
C2	1.5197		1.1401	2.1710	2.1710	2.1710
O3	2.6598	1.1401		3.1910	3.1910	3.1910
H4	1.2105	2.1710	3.1910		2.0273	2.0273
H5	1.2105	2.1710	3.1910	2.0273		2.0273
H6	1.2105	2.1710	3.1910	2.0273	2.0273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.780
C2	B1	H5	104.780	C2	B1	H6	104.780
H4	B1	H5	113.727	H4	B1	H6	113.727
H5	B1	H6	113.727

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

using model chemistry: B3PW91/6-31+G**

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	-0.248
2	C	0.407
3	O	-0.209
4	H	0.017
5	H	0.017
6	H	0.017

	x	y	z	Total
	0.000	0.000	1.301	1.301
CHELPG
AIM
ESP

<r²>	47.905
(<r²>)^1/2	6.921

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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