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	hartrees
Energy at 0K	-139.208299
Energy at 298.15K	-139.210438
HF Energy	-139.208299
Nuclear repulsion energy	56.593102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2414	2387	3.06
2	A₁	2169	2144	516.01
3	A₁	1027	1015	7.64
4	A₁	822	812	13.68
5	E	2504	2476	10.86
5	E	2504	2476	10.86
6	E	1011	999	0.71
6	E	1011	999	0.71
7	E	742	733	8.62
7	E	742	733	8.62
8	E	283	280	1.06
8	E	283	280	1.06

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.317
C2	0.000	0.000	0.168
O3	0.000	0.000	1.313
H4	0.000	1.179	-1.642
H5	1.021	-0.590	-1.642
H6	-1.021	-0.590	-1.642

	B1	C2	O3	H4	H5	H6
B1		1.4843	2.6295	1.2235	1.2235	1.2235
C2	1.4843		1.1451	2.1600	2.1600	2.1600
O3	2.6295	1.1451		3.1814	3.1814	3.1814
H4	1.2235	2.1600	3.1814		2.0430	2.0430
H5	1.2235	2.1600	3.1814	2.0430		2.0430
H6	1.2235	2.1600	3.1814	2.0430	2.0430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	105.414
C2	B1	H5	105.414	C2	B1	H6	105.414
H4	B1	H5	113.206	H4	B1	H6	113.206
H5	B1	H6	113.206

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

using model chemistry: LSDA/aug-cc-pVDZ

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	-2.032
2	C	0.398
3	O	-0.147
4	H	0.594
5	H	0.594
6	H	0.594

	x	y	z	Total
	0.000	0.000	0.830	0.830
CHELPG
AIM
ESP

<r²>	47.312
(<r²>)^1/2	6.878

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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