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	hartrees
Energy at 0K	-139.558335
Energy at 298.15K
HF Energy	-139.160140
Nuclear repulsion energy	55.944384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2519	2519	6.53
2	A₁	2297	2297	350.75
3	A₁	1144	1144	40.42
4	A₁	642	642	18.27
5	E	2597	2597	84.19
5	E	2597	2597	84.19
6	E	1176	1176	0.99
6	E	1176	1176	0.99
7	E	874	874	0.52
7	E	874	874	0.52
8	E	312	312	11.70
8	E	312	312	11.70

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.381
C2	0.000	0.000	0.205
O3	0.000	0.000	1.332
H4	0.000	1.179	-1.661
H5	1.021	-0.590	-1.661
H6	-1.021	-0.590	-1.661

	B1	C2	O3	H4	H5	H6
B1		1.5862	2.7129	1.2120	1.2120	1.2120
C2	1.5862		1.1267	2.2074	2.2074	2.2074
O3	2.7129	1.1267		3.2168	3.2168	3.2168
H4	1.2120	2.2074	3.2168		2.0425	2.0425
H5	1.2120	2.2074	3.2168	2.0425		2.0425
H6	1.2120	2.2074	3.2168	2.0425	2.0425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.354
C2	B1	H5	103.354	C2	B1	H6	103.354
H4	B1	H5	114.833	H4	B1	H6	114.833
H5	B1	H6	114.834

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

using model chemistry: CISD/daug-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: CISD/daug-cc-pVDZ

States and conformations

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