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	hartrees
Energy at 0K	-139.879596
Energy at 298.15K
HF Energy	-139.879596
Nuclear repulsion energy	55.518969

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	2419	2401	0.04	176.18	0.00	0.00
2	A₁	2004	1989	414.39	37.66	0.30	0.46
3	A₁	1061	1053	2.86	26.21	0.70	0.82
4	A₁	788	782	16.50	13.27	0.25	0.41
5	E	2474	2456	30.68	114.40	0.75	0.86
5	E	2474	2456	30.68	114.40	0.75	0.86
6	E	1075	1066	1.26	27.19	0.75	0.86
6	E	1075	1066	1.26	27.19	0.75	0.86
7	E	807	801	4.58	0.00	0.75	0.86
7	E	807	801	4.58	0.00	0.75	0.86
8	E	305	303	5.51	0.43	0.75	0.86
8	E	305	303	5.51	0.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.342
C2	0.000	0.000	0.171
O3	0.000	0.000	1.346
H4	0.000	1.167	-1.693
H5	1.011	-0.583	-1.693
H6	-1.011	-0.583	-1.693

	B1	C2	O3	H4	H5	H6
B1		1.5132	2.6880	1.2185	1.2185	1.2185
C2	1.5132		1.1748	2.1990	2.1990	2.1990
O3	2.6880	1.1748		3.2551	3.2551	3.2551
H4	1.2185	2.1990	3.2551		2.0212	2.0212
H5	1.2185	2.1990	3.2551	2.0212		2.0212
H6	1.2185	2.1990	3.2551	2.0212	2.0212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	106.724
C2	B1	H5	106.724	C2	B1	H6	106.724
H4	B1	H5	112.073	H4	B1	H6	112.073
H5	B1	H6	112.073

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	B	-0.176
2	C	0.358
3	O	-0.196
4	H	0.005
5	H	0.005
6	H	0.005

	x	y	z	Total
	0.000	0.000	1.006	1.006
CHELPG
AIM
ESP

<r²>	48.788
(<r²>)^1/2	6.985

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

using model chemistry: BLYP/6-31G

States and conformations

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