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	hartrees
Energy at 0K	-139.925213
Energy at 298.15K
HF Energy	-139.740194
Nuclear repulsion energy	56.603239

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	2489	2489	1.39	274.20	0.00	0.00
2	A₁	2185	2185	411.98	99.45	0.28	0.43
3	A₁	1106	1106	6.13	21.73	0.34	0.50
4	A₁	737	737	33.78	5.87	0.07	0.13
5	E	2558	2558	46.44	110.29	0.75	0.86
5	E	2558	2558	46.44	110.30	0.75	0.86
6	E	1135	1135	0.00	9.86	0.75	0.86
6	E	1135	1135	0.00	9.86	0.75	0.86
7	E	832	832	3.29	0.93	0.75	0.86
7	E	832	832	3.29	0.93	0.75	0.86
8	E	308	308	6.07	0.60	0.75	0.86
8	E	308	308	6.07	0.60	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	1.316
H4	0.000	1.164	-1.642
H5	1.008	-0.582	-1.642
H6	-1.008	-0.582	-1.642

	B1	C2	O3	H4	H5	H6
B1		1.5280	2.6585	1.2017	1.2017	1.2017
C2	1.5280		1.1305	2.1669	2.1669	2.1669
O3	2.6585	1.1305		3.1791	3.1791	3.1791
H4	1.2017	2.1669	3.1791		2.0156	2.0156
H5	1.2017	2.1669	3.1791	2.0156		2.0156
H6	1.2017	2.1669	3.1791	2.0156	2.0156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.450
C2	B1	H5	104.450	C2	B1	H6	104.450
H4	B1	H5	113.992	H4	B1	H6	113.992
H5	B1	H6	113.992

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

using model chemistry: B2PLYP=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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