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	hartrees
Energy at 0K	-2688.087682
Energy at 298.15K	-2688.091508
HF Energy	-2688.087682
Nuclear repulsion energy	140.366956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2960	2949	23.30
2	A'	1806	1799	426.43
3	A'	1235	1231	55.33
4	A'	595	592	148.22
5	A'	325	323	16.48
6	A"	861	857	5.84

Atom	x (Å)	y (Å)
C1	0.377	-1.254
O2	-0.467	-2.087
H3	1.471	-1.394
Br4	0.000	0.732

	C1	O2	H3	Br4
C1		1.1855	1.1031	2.0213
O2	1.1855		2.0580	2.8570
H3	1.1031	2.0580		2.5853
Br4	2.0213	2.8570	2.5853

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	128.080		O2	C1	Br4	123.877
H3	C1	Br4	108.043

All results from a given calculation for COHBr (Formyl bromide)

using model chemistry: BLYP/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	C	0.081
2	O	-0.157
3	H	0.154
4	Br	-0.078

	x	y	z	Total
	1.771	-0.398	0.000	1.816
CHELPG
AIM
ESP

	x	y	z
x	3.568	-0.211	0.000
y	-0.211	7.678	0.000
z	0.000	0.000	2.387

<r²>	0.000
(<r²>)^1/2	0.000