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	hartrees
Energy at 0K	-139.920647
Energy at 298.15K
HF Energy	-139.741421
Nuclear repulsion energy	56.587416

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	2496	2386	1.68	254.42	0.00	0.00
2	A₁	2186	2089	394.60	88.74	0.30	0.46
3	A₁	1109	1060	5.77	20.24	0.48	0.65
4	A₁	739	706	33.89	4.67	0.09	0.17
5	E	2567	2454	45.71	106.51	0.75	0.86
5	E	2567	2454	45.71	106.51	0.75	0.86
6	E	1141	1091	0.01	14.92	0.75	0.86
6	E	1141	1091	0.01	14.92	0.75	0.86
7	E	832	795	3.18	0.39	0.75	0.86
7	E	832	795	3.18	0.39	0.75	0.86
8	E	308	294	6.47	0.27	0.75	0.86
8	E	308	294	6.47	0.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.343
C2	0.000	0.000	0.185
O3	0.000	0.000	1.317
H4	0.000	1.163	-1.643
H5	1.007	-0.581	-1.643
H6	-1.007	-0.581	-1.643

	B1	C2	O3	H4	H5	H6
B1		1.5274	2.6591	1.2009	1.2009	1.2009
C2	1.5274		1.1317	2.1664	2.1664	2.1664
O3	2.6591	1.1317		3.1799	3.1799	3.1799
H4	1.2009	2.1664	3.1799		2.0137	2.0137
H5	1.2009	2.1664	3.1799	2.0137		2.0137
H6	1.2009	2.1664	3.1799	2.0137	2.0137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.495
C2	B1	H5	104.495	C2	B1	H6	104.495
H4	B1	H5	113.956	H4	B1	H6	113.956
H5	B1	H6	113.956

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVTZ

States and conformations

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