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	hartrees
Energy at 0K	-139.984383
Energy at 298.15K
HF Energy	-139.984383
Nuclear repulsion energy	56.135872

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	2488	2395	2.48	229.49	0.00	0.00
2	A₁	2182	2100	480.81	71.66	0.31	0.47
3	A₁	1087	1047	2.28	21.26	0.60	0.75
4	A₁	746	718	26.09	7.29	0.15	0.26
5	E	2556	2460	50.38	122.46	0.75	0.86
5	E	2556	2460	50.38	122.46	0.75	0.86
6	E	1124	1082	0.16	16.71	0.75	0.86
6	E	1124	1082	0.16	16.71	0.75	0.86
7	E	822	791	1.96	0.06	0.75	0.86
7	E	822	791	1.96	0.06	0.75	0.86
8	E	297	286	6.69	0.21	0.75	0.86
8	E	297	286	6.69	0.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.350
C2	0.000	0.000	0.184
O3	0.000	0.000	1.328
H4	0.000	1.169	-1.657
H5	1.013	-0.585	-1.657
H6	-1.013	-0.585	-1.657

	B1	C2	O3	H4	H5	H6
B1		1.5340	2.6781	1.2086	1.2086	1.2086
C2	1.5340		1.1442	2.1802	2.1802	2.1802
O3	2.6781	1.1442		3.2051	3.2052	3.2052
H4	1.2086	2.1802	3.2051		2.0251	2.0251
H5	1.2086	2.1802	3.2052	2.0251		2.0251
H6	1.2086	2.1802	3.2052	2.0251	2.0251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.673
C2	B1	H5	104.673	C2	B1	H6	104.673
H4	B1	H5	113.814	H4	B1	H6	113.814
H5	B1	H6	113.814

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

using model chemistry: TPSSh/6-31+G**

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	-0.209
2	C	0.402
3	O	-0.200
4	H	0.003
5	H	0.003
6	H	0.003

	x	y	z	Total
	0.000	0.000	1.373	1.373
CHELPG
AIM
ESP

<r²>	48.332
(<r²>)^1/2	6.952

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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