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	hartrees
Energy at 0K	-139.555028
Energy at 298.15K
HF Energy	-139.160335
Nuclear repulsion energy	55.991402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2521	2521	6.77
2	A₁	2317	2317	357.40
3	A₁	1145	1145	41.38
4	A₁	641	641	18.05
5	E	2601	2601	83.78
5	E	2601	2601	83.78
6	E	1177	1177	0.99
6	E	1177	1177	0.99
7	E	876	876	0.50
7	E	876	876	0.50
8	E	313	313	11.76
8	E	313	313	11.76

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.380
C2	0.000	0.000	0.206
O3	0.000	0.000	1.331
H4	0.000	1.179	-1.660
H5	1.021	-0.590	-1.660
H6	-1.021	-0.590	-1.660

	B1	C2	O3	H4	H5	H6
B1		1.5862	2.7110	1.2118	1.2118	1.2118
C2	1.5862		1.1248	2.2073	2.2073	2.2073
O3	2.7110	1.1248		3.2149	3.2149	3.2149
H4	1.2118	2.2073	3.2149		2.0422	2.0422
H5	1.2118	2.2073	3.2149	2.0422		2.0422
H6	1.2118	2.2073	3.2149	2.0422	2.0422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.352
C2	B1	H5	103.352	C2	B1	H6	103.352
H4	B1	H5	114.835	H4	B1	H6	114.835
H5	B1	H6	114.835

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

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

States and conformations

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