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	hartrees
Energy at 0K	-139.957183
Energy at 298.15K
HF Energy	-139.957183
Nuclear repulsion energy	56.680407

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	2465	2358	1.28	225.85	0.00	0.00
2	A₁	2267	2169	503.94	62.38	0.38	0.55
3	A₁	1099	1051	3.25	15.76	0.62	0.76
4	A₁	752	720	34.25	5.43	0.10	0.19
5	E	2547	2436	48.79	109.12	0.75	0.86
5	E	2547	2436	48.92	109.25	0.75	0.86
6	E	1123	1074	0.10	20.16	0.75	0.86
6	E	1123	1074	0.10	20.17	0.75	0.86
7	E	826	790	4.10	0.18	0.75	0.86
7	E	826	790	4.08	0.18	0.75	0.86
8	E	308	295	7.91	0.37	0.75	0.86
8	E	308	295	7.92	0.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.340
C2	0.000	0.000	0.186
O3	0.000	0.000	1.313
H4	0.000	1.170	-1.639
H5	1.013	-0.585	-1.639
H6	-1.013	-0.585	-1.639

	B1	C2	O3	H4	H5	H6
B1		1.5265	2.6528	1.2078	1.2078	1.2078
C2	1.5265		1.1263	2.1681	2.1681	2.1681
O3	2.6528	1.1263		3.1749	3.1749	3.1749
H4	1.2078	2.1681	3.1749		2.0270	2.0270
H5	1.2078	2.1681	3.1749	2.0270		2.0270
H6	1.2078	2.1681	3.1749	2.0270	2.0270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.313
C2	B1	H5	104.313	C2	B1	H6	104.313
H4	B1	H5	114.099	H4	B1	H6	114.099
H5	B1	H6	114.099

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

using model chemistry: wB97X-D/6-311G**

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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Number	Element	Mulliken
1	B	-0.225
2	C	0.314
3	O	-0.119
4	H	0.010
5	H	0.010
6	H	0.010

	x	y	z	Total
	0.000	0.000	1.615	1.615
CHELPG
AIM
ESP

	x	y	z
x	3.763	0.000	0.000
y	0.000	3.764	-0.000
z	0.000	-0.000	6.091

<r²>	47.719
(<r²>)^1/2	6.908

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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