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	hartrees
Energy at 0K	-139.715543
Energy at 298.15K
HF Energy	-139.199040
Nuclear repulsion energy	56.292439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2493	2493	5.12
2	A₁	2235	2235	332.22
3	A₁	1127	1127	23.59
4	A₁	677	677	26.60
5	E	2571	2571	66.42
5	E	2571	2571	66.42
6	E	1161	1161	0.28
6	E	1161	1161	0.28
7	E	855	855	1.45
7	E	855	855	1.45
8	E	312	312	9.97
8	E	312	312	9.97

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.364
C2	0.000	0.000	0.197
O3	0.000	0.000	1.324
H4	0.000	1.170	-1.650
H5	1.013	-0.585	-1.650
H6	-1.013	-0.585	-1.650

	B1	C2	O3	H4	H5	H6
B1		1.5609	2.6876	1.2046	1.2046	1.2046
C2	1.5609		1.1268	2.1867	2.1867	2.1867
O3	2.6876	1.1268		3.1960	3.1960	3.1960
H4	1.2046	2.1867	3.1960		2.0265	2.0265
H5	1.2046	2.1867	3.1960	2.0265		2.0265
H6	1.2046	2.1867	3.1960	2.0265	2.0265

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.761
C2	B1	H5	103.761	C2	B1	H6	103.761
H4	B1	H5	114.527	H4	B1	H6	114.527
H5	B1	H6	114.527

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

using model chemistry: QCISD/Def2TZVPP

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/Def2TZVPP

States and conformations

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