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	hartrees
Energy at 0K	-139.703409
Energy at 298.15K	-139.705691
HF Energy	-139.194036
Nuclear repulsion energy	56.388344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2495	2330	6.22
2	A₁	2296	2144	343.65
3	A₁	1131	1056	28.31
4	A₁	670	625	25.91
5	E	2577	2406	64.85
5	E	2577	2406	64.85
6	E	1166	1089	0.30
6	E	1166	1089	0.30
7	E	859	802	1.10
7	E	859	802	1.10
8	E	311	291	10.58
8	E	311	291	10.58

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.364
C2	0.000	0.000	0.199
O3	0.000	0.000	1.321
H4	0.000	1.170	-1.648
H5	1.013	-0.585	-1.648
H6	-1.013	-0.585	-1.648

	B1	C2	O3	H4	H5	H6
B1		1.5625	2.6849	1.2037	1.2037	1.2037
C2	1.5625		1.1224	2.1864	2.1864	2.1864
O3	2.6849	1.1224		3.1916	3.1916	3.1916
H4	1.2037	2.1864	3.1916		2.0258	2.0258
H5	1.2037	2.1864	3.1916	2.0258		2.0258
H6	1.2037	2.1864	3.1916	2.0258	2.0258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.680
C2	B1	H5	103.680	C2	B1	H6	103.680
H4	B1	H5	114.589	H4	B1	H6	114.589
H5	B1	H6	114.589

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

using model chemistry: CCD/cc-pVTZ

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: CCD/cc-pVTZ

States and conformations

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