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	hartrees
Energy at 0K	-2675.057611
Energy at 298.15K	-2675.061446
HF Energy	-2675.057611
Nuclear repulsion energy	138.211870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2982	2966	36.09
2	A'	1722	1713	316.95
3	A'	1266	1259	44.62
4	A'	593	589	120.70
5	A'	331	329	8.39
6	A"	878	873	10.21

Atom	x (Å)	y (Å)
C1	0.380	-1.267
O2	-0.469	-2.132
H3	1.474	-1.378
Br4	0.000	0.744

	C1	O2	H3	Br4
C1		1.2117	1.1003	2.0463
O2	1.2117		2.0847	2.9134
H3	1.1003	2.0847		2.5836
Br4	2.0463	2.9134	2.5836

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	128.695		O2	C1	Br4	124.832
H3	C1	Br4	106.473

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

using model chemistry: BLYP/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	0.041
2	O	-0.301
3	H	0.238
4	Br	0.022

	x	y	z	Total
	1.752	-0.365	0.000	1.789
CHELPG
AIM
ESP

	x	y	z
x	2.511	-0.275	0.000
y	-0.275	6.804	0.000
z	0.000	0.000	1.252

<r²>	0.000
(<r²>)^1/2	0.000