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	hartrees
Energy at 0K	-139.641260
Energy at 298.15K
HF Energy	-139.187507
Nuclear repulsion energy	56.139042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2505	2393	7.21
2	A₁	2240	2140	315.58
3	A₁	1139	1088	27.72
4	A₁	657	628	24.04
5	E	2586	2470	72.58
5	E	2586	2470	72.58
6	E	1171	1119	0.27
6	E	1171	1119	0.27
7	E	865	826	0.40
7	E	865	826	0.40
8	E	305	291	12.65
8	E	305	291	12.65

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.370
C2	0.000	0.000	0.199
O3	0.000	0.000	1.328
H4	0.000	1.170	-1.658
H5	1.013	-0.585	-1.658
H6	-1.013	-0.585	-1.658

	B1	C2	O3	H4	H5	H6
B1		1.5690	2.6978	1.2048	1.2048	1.2048
C2	1.5690		1.1288	2.1947	2.1947	2.1947
O3	2.6978	1.1288		3.2067	3.2067	3.2067
H4	1.2048	2.1947	3.2067		2.0263	2.0263
H5	1.2048	2.1947	3.2067	2.0263		2.0263
H6	1.2048	2.1947	3.2067	2.0263	2.0263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.823
C2	B1	H5	103.823	C2	B1	H6	103.823
H4	B1	H5	114.480	H4	B1	H6	114.480
H5	B1	H6	114.480

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

using model chemistry: QCISD/TZVP

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

using model chemistry: QCISD/TZVP

States and conformations

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