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	hartrees
Energy at 0K	-139.750305
Energy at 298.15K
HF Energy	-139.192867
Nuclear repulsion energy	56.533887

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	2522	2399	1.66	299.52	0.00	0.00
2	A₁	2170	2064	301.11	134.49	0.27	0.43
3	A₁	1122	1067	12.72	21.93	0.31	0.47
4	A₁	729	694	39.88	2.36	0.01	0.02
5	E	2614	2487	50.30	101.80	0.75	0.86
5	E	2614	2487	50.30	101.80	0.75	0.86
6	E	1168	1111	0.06	9.48	0.75	0.86
6	E	1168	1111	0.06	9.48	0.75	0.86
7	E	837	796	2.24	1.19	0.75	0.86
7	E	837	796	2.24	1.19	0.75	0.86
8	E	305	290	6.28	0.58	0.75	0.86
8	E	305	290	6.28	0.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.348
C2	0.000	0.000	0.185
O3	0.000	0.000	1.318
H4	0.000	1.161	-1.638
H5	1.006	-0.581	-1.638
H6	-1.006	-0.581	-1.638

	B1	C2	O3	H4	H5	H6
B1		1.5327	2.6660	1.1972	1.1972	1.1972
C2	1.5327		1.1333	2.1616	2.1616	2.1616
O3	2.6660	1.1333		3.1763	3.1763	3.1763
H4	1.1972	2.1616	3.1763		2.0117	2.0117
H5	1.1972	2.1616	3.1763	2.0117		2.0117
H6	1.1972	2.1616	3.1763	2.0117	2.0117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.036
C2	B1	H5	104.036	C2	B1	H6	104.036
H4	B1	H5	114.316	H4	B1	H6	114.316
H5	B1	H6	114.316

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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=FULL/aug-cc-pVTZ

States and conformations

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