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	hartrees
Energy at 0K	-139.726211
Energy at 298.15K
HF Energy	-139.622056
Nuclear repulsion energy	55.623986

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	2497	2497	1.06	192.42	0.00	0.00
2	A₁	2043	2043	365.17	87.83	0.28	0.44
3	A₁	1119	1119	0.31	40.86	0.60	0.75
4	A₁	738	738	28.92	2.42	0.15	0.26
5	E	2565	2565	46.48	116.23	0.75	0.86
5	E	2565	2565	46.48	116.23	0.75	0.86
6	E	1138	1138	0.76	29.90	0.75	0.86
6	E	1138	1138	0.76	29.89	0.75	0.86
7	E	850	850	1.76	0.12	0.75	0.86
7	E	850	850	1.76	0.12	0.75	0.86
8	E	306	306	10.98	0.39	0.75	0.86
8	E	306	306	10.98	0.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.355
C2	0.000	0.000	0.179
O3	0.000	0.000	1.343
H4	0.000	1.164	-1.681
H5	1.008	-0.582	-1.681
H6	-1.008	-0.582	-1.681

	B1	C2	O3	H4	H5	H6
B1		1.5342	2.6982	1.2093	1.2093	1.2093
C2	1.5342		1.1640	2.1949	2.1949	2.1949
O3	2.6982	1.1640		3.2409	3.2409	3.2409
H4	1.2093	2.1949	3.2409		2.0169	2.0169
H5	1.2093	2.1949	3.2409	2.0169		2.0169
H6	1.2093	2.1949	3.2409	2.0169	2.0169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	105.655
C2	B1	H5	105.655	C2	B1	H6	105.655
H4	B1	H5	113.003	H4	B1	H6	113.003
H5	B1	H6	113.003

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

using model chemistry: B2PLYP=FULL/6-31G

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/6-31G

States and conformations

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