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	hartrees
Energy at 0K	-138.637574
Energy at 298.15K	-138.639924
HF Energy	-138.352812
Nuclear repulsion energy	55.577646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2509	2509	4.47
2	A₁	2260	2260	307.26
3	A₁	1147	1147	7.66
4	A₁	658	658	20.22
5	E	2589	2589	38.14
5	E	2589	2589	38.14
6	E	1164	1164	0.61
6	E	1164	1164	0.61
7	E	894	894	0.11
7	E	894	894	0.11
8	E	339	339	17.82
8	E	339	339	17.82

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.379
C2	0.000	0.000	0.201
O3	0.000	0.000	1.343
H4	0.000	1.175	-1.686
H5	1.018	-0.588	-1.686
H6	-1.018	-0.588	-1.686

	B1	C2	O3	H4	H5	H6
B1		1.5802	2.7220	1.2146	1.2146	1.2146
C2	1.5802		1.1418	2.2232	2.2232	2.2232
O3	2.7220	1.1418		3.2490	3.2490	3.2490
H4	1.2146	2.2232	3.2490		2.0355	2.0355
H5	1.2146	2.2232	3.2490	2.0355		2.0355
H6	1.2146	2.2232	3.2490	2.0355	2.0355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.639
C2	B1	H5	104.639	C2	B1	H6	104.639
H4	B1	H5	113.841	H4	B1	H6	113.841
H5	B1	H6	113.841

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

using model chemistry: MP3=FULL/3-21G

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: MP3=FULL/3-21G

States and conformations

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