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	hartrees
Energy at 0K	-139.584205
Energy at 298.15K	-139.586475
HF Energy	-139.154809
Nuclear repulsion energy	55.799986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2495	2495	9.74
2	A₁	2293	2293	304.34
3	A₁	1123	1123	34.00
4	A₁	649	649	18.50
5	E	2584	2584	70.52
5	E	2584	2584	70.52
6	E	1156	1156	0.22
6	E	1156	1156	0.22
7	E	856	856	0.24
7	E	856	856	0.24
8	E	307	307	12.61
8	E	307	307	12.61

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.383
C2	0.000	0.000	0.205
O3	0.000	0.000	1.335
H4	0.000	1.185	-1.666
H5	1.026	-0.592	-1.666
H6	-1.026	-0.592	-1.666

	B1	C2	O3	H4	H5	H6
B1		1.5880	2.7175	1.2184	1.2184	1.2184
C2	1.5880		1.1294	2.2152	2.2152	2.2152
O3	2.7175	1.1294		3.2265	3.2265	3.2265
H4	1.2184	2.2152	3.2265		2.0524	2.0524
H5	1.2184	2.2152	3.2265	2.0524		2.0524
H6	1.2184	2.2152	3.2265	2.0524	2.0524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.457
C2	B1	H5	103.457	C2	B1	H6	103.457
H4	B1	H5	114.757	H4	B1	H6	114.757
H5	B1	H6	114.757

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

using model chemistry: CCD/cc-pCVDZ

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-pCVDZ

States and conformations

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