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	hartrees
Energy at 0K	-139.611538
Energy at 298.15K
HF Energy	-139.157881
Nuclear repulsion energy	55.715228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2480	2480	5.13
2	A₁	2225	2225	332.26
3	A₁	1116	1116	32.07
4	A₁	652	652	21.15
5	E	2558	2558	72.97
5	E	2558	2558	72.97
6	E	1146	1146	0.65
6	E	1146	1146	0.65
7	E	848	848	0.50
7	E	848	848	0.50
8	E	304	304	10.01
8	E	304	304	10.01

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.382
C2	0.000	0.000	0.202
O3	0.000	0.000	1.337
H4	0.000	1.184	-1.666
H5	1.025	-0.592	-1.666
H6	-1.025	-0.592	-1.666

	B1	C2	O3	H4	H5	H6
B1		1.5834	2.7189	1.2175	1.2175	1.2175
C2	1.5834		1.1356	2.2112	2.2112	2.2112
O3	2.7189	1.1356		3.2281	3.2281	3.2281
H4	1.2175	2.2112	3.2281		2.0504	2.0504
H5	1.2175	2.2112	3.2281	2.0504		2.0504
H6	1.2175	2.2112	3.2281	2.0504	2.0504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.502
C2	B1	H5	103.502	C2	B1	H6	103.502
H4	B1	H5	114.723	H4	B1	H6	114.723
H5	B1	H6	114.723

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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: CCSD=FULL/aug-cc-pVDZ

States and conformations

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