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	hartrees
Energy at 0K	-139.357926
Energy at 298.15K
HF Energy	-139.073344
Nuclear repulsion energy	54.676672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2446	2361	4.04	228.82	0.00	0.01
2	A₁	1987	1918	233.59	200.62	0.27	0.42
3	A₁	1106	1068	6.65	38.99	0.59	0.74
4	A₁	651	628	26.46	1.39	0.65	0.79
5	E	2539	2451	73.51	109.37	0.75	0.86
5	E	2539	2451	73.51	109.37	0.75	0.86
6	E	1103	1065	0.63	29.32	0.75	0.86
6	E	1103	1065	0.63	29.32	0.75	0.86
7	E	846	816	1.83	1.53	0.75	0.86
7	E	846	816	1.83	1.53	0.75	0.86
8	E	304	294	8.66	0.60	0.75	0.86
8	E	304	294	8.66	0.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.391
C2	0.000	0.000	0.189
O3	0.000	0.000	1.368
H4	0.000	1.177	-1.707
H5	1.019	-0.588	-1.707
H6	-1.019	-0.588	-1.707

	B1	C2	O3	H4	H5	H6
B1		1.5799	2.7592	1.2185	1.2185	1.2185
C2	1.5799		1.1793	2.2316	2.2316	2.2316
O3	2.7592	1.1793		3.2928	3.2928	3.2928
H4	1.2185	2.2316	3.2928		2.0383	2.0383
H5	1.2185	2.2316	3.2928	2.0383		2.0383
H6	1.2185	2.2316	3.2928	2.0383	2.0383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	105.034
C2	B1	H5	105.034	C2	B1	H6	105.034
H4	B1	H5	113.520	H4	B1	H6	113.520
H5	B1	H6	113.520

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

using model chemistry: MP2/SDD

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: MP2/SDD

States and conformations

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