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	hartrees
Energy at 0K	-139.691033
Energy at 298.15K
HF Energy	-139.187952
Nuclear repulsion energy	56.292283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2509	2378	7.00
2	A₁	2283	2163	336.40
3	A₁	1143	1083	27.19
4	A₁	663	628	24.94
5	E	2592	2456	70.64
5	E	2592	2456	70.64
6	E	1175	1113	0.21
6	E	1175	1113	0.21
7	E	868	823	0.49
7	E	868	823	0.49
8	E	309	293	12.58
8	E	309	293	12.58

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.366
C2	0.000	0.000	0.199
O3	0.000	0.000	1.324
H4	0.000	1.168	-1.654
H5	1.011	-0.584	-1.654
H6	-1.011	-0.584	-1.654

	B1	C2	O3	H4	H5	H6
B1		1.5651	2.6901	1.2027	1.2027	1.2027
C2	1.5651		1.1250	2.1904	2.1904	2.1904
O3	2.6901	1.1250		3.1990	3.1990	3.1990
H4	1.2027	2.1904	3.1990		2.0225	2.0225
H5	1.2027	2.1904	3.1990	2.0225		2.0225
H6	1.2027	2.1904	3.1990	2.0225	2.0225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.862
C2	B1	H5	103.862	C2	B1	H6	103.862
H4	B1	H5	114.450	H4	B1	H6	114.450
H5	B1	H6	114.450

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

using model chemistry: CCSD=FULL/TZVP

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/TZVP

States and conformations

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