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	hartrees
Energy at 0K	-2688.226896
Energy at 298.15K	-2688.230823
HF Energy	-2688.226896
Nuclear repulsion energy	144.258156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3077	2949	12.09
2	A'	1871	1793	455.82
3	A'	1289	1235	49.29
4	A'	655	628	173.27
5	A'	366	351	9.78
6	A"	919	880	4.94

Atom	x (Å)	y (Å)
C1	0.375	-1.200
O2	-0.465	-2.029
H3	1.466	-1.362
Br4	0.000	0.708

	C1	O2	H3	Br4
C1		1.1802	1.1027	1.9453
O2	1.1802		2.0430	2.7769
H3	1.1027	2.0430		2.5368
Br4	1.9453	2.7769	2.5368

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.957		O2	C1	Br4	123.498
H3	C1	Br4	109.545

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	0.185
2	O	-0.325
3	H	-0.052
4	Br	0.193

	x	y	z	Total
	1.810	0.073	0.000	1.811
CHELPG
AIM
ESP

	x	y	z
x	4.996	-0.051	0.000
y	-0.051	8.021	0.000
z	0.000	0.000	4.120

<r²>	0.000
(<r²>)^1/2	0.000