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	hartrees
Energy at 0K	-2685.625506
Energy at 298.15K	-2685.629399
HF Energy	-2685.625506
Nuclear repulsion energy	142.885341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3063	2943	23.36
2	A'	1882	1808	409.11
3	A'	1312	1261	59.77
4	A'	639	614	159.08
5	A'	351	337	11.22
6	A"	908	872	3.31

Atom	x (Å)	y (Å)
C1	0.376	-1.217
O2	-0.465	-2.051
H3	1.463	-1.370
Br4	0.000	0.717

	C1	O2	H3	Br4
C1		1.1839	1.0985	1.9699
O2	1.1839		2.0449	2.8067
H3	1.0985	2.0449		2.5485
Br4	1.9699	2.8067	2.5485

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	127.215		O2	C1	Br4	123.810
H3	C1	Br4	108.976

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

using model chemistry: B3LYP/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	C	0.261
2	O	-0.295
3	H	0.159
4	Br	-0.125

	x	y	z	Total
	1.782	-0.076	0.000	1.784
CHELPG
AIM
ESP

	x	y	z
x	3.738	-0.120	0.000
y	-0.120	6.907	0.000
z	0.000	0.000	2.632

<r²>	0.000
(<r²>)^1/2	0.000