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	hartrees
Energy at 0K	-2671.915096
Energy at 298.15K	-2671.919025
HF Energy	-2671.915096
Nuclear repulsion energy	143.934412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2975	2926	29.91
2	A'	1768	1739	283.86
3	A'	1297	1275	27.12
4	A'	659	648	141.44
5	A'	371	365	5.89
6	A"	919	904	9.34

Atom	x (Å)	y (Å)
C1	0.372	-1.184
O2	-0.463	-2.053
H3	1.471	-1.303
Br4	0.000	0.709

	C1	O2	H3	Br4
C1		1.2053	1.1055	1.9290
O2	1.2053		2.0741	2.8004
H3	1.1055	2.0741		2.4929
Br4	1.9290	2.8004	2.4929

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	127.636		O2	C1	Br4	125.021
H3	C1	Br4	107.343

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

using model chemistry: LSDA/3-21G

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	0.108
2	O	-0.312
3	H	0.250
4	Br	-0.046

	x	y	z	Total
	1.642	0.244	0.000	1.660
CHELPG
AIM
ESP

	x	y	z
x	3.283	-0.126	0.000
y	-0.126	6.445	0.000
z	0.000	0.000	2.123

<r²>	0.000
(<r²>)^1/2	0.000