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	hartrees
Energy at 0K	-2685.726390
Energy at 298.15K	-2685.730273
HF Energy	-2685.726390
Nuclear repulsion energy	141.929204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3017	18.64
2	A'	1798	1715	408.08
3	A'	1329	1267	58.07
4	A'	620	591	159.53
5	A'	348	332	13.39
6	A"	919	876	8.87

Atom	x (Å)	y (Å)
C1	0.383	-1.222
O2	-0.470	-2.067
H3	1.461	-1.371
Br4	0.000	0.721

	C1	O2	H3	Br4
C1		1.2001	1.0889	1.9802
O2	1.2001		2.0525	2.8273
H3	1.0889	2.0525		2.5516
Br4	1.9802	2.8273	2.5516

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	127.378		O2	C1	Br4	123.626
H3	C1	Br4	108.996

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

using model chemistry: B1B95/6-31G

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	-0.010
2	O	-0.272
3	H	0.231
4	Br	0.050

	x	y	z	Total
	2.115	-0.096	0.000	2.117
CHELPG
AIM
ESP

	x	y	z
x	2.685	-0.116	0.000
y	-0.116	6.809	0.000
z	0.000	0.000	1.378

<r²>	0.000
(<r²>)^1/2	0.000