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	hartrees
Energy at 0K	-139.605558
Energy at 298.15K	-139.607786
HF Energy	-139.151805
Nuclear repulsion energy	55.597901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2486	2394
2	A₁	2197	2116
3	A₁	1103	1063
4	A₁	669	644
5	E	2572	2477
5	E	2572	2477
6	E	1139	1097
6	E	1138	1096
7	E	837	807
7	E	837	807
8	E	300	289
8	E	300	289

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.382
C2	0.000	0.000	0.199
O3	0.000	0.000	1.340
H4	0.000	1.187	-1.668
H5	1.028	-0.593	-1.668
H6	-1.028	-0.593	-1.668

	B1	C2	O3	H4	H5	H6
B1		1.5814	2.7217	1.2209	1.2209	1.2209
C2	1.5814		1.1403	2.2127	2.2127	2.2127
O3	2.7217	1.1403		3.2335	3.2335	3.2335
H4	1.2209	2.2127	3.2335		2.0559	2.0559
H5	1.2209	2.2127	3.2335	2.0559		2.0559
H6	1.2209	2.2127	3.2335	2.0559	2.0559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.546
C2	B1	H5	103.546	C2	B1	H6	103.546
H4	B1	H5	114.690	H4	B1	H6	114.690
H5	B1	H6	114.690

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

using model chemistry: CCSD(T)=FULL/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(T)=FULL/cc-pVDZ

States and conformations

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