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	hartrees
Energy at 0K	-572.868440
Energy at 298.15K	-572.869669
HF Energy	-572.868440
Nuclear repulsion energy	89.329604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	2949	17.05
2	A'	2011	1831	470.44
3	A'	1457	1326	49.88
4	A'	805	733	243.03
5	A'	504	459	7.01
6	A"	1070	974	0.57

Atom	x (Å)	y (Å)
C1	0.000	0.793
O2	1.102	1.147
Cl3	-0.467	-0.904
H4	-0.878	1.427

	C1	O2	Cl3	H4
C1		1.1580	1.7595	1.0832
O2	1.1580		2.5824	2.0000
Cl3	1.7595	2.5824		2.3668
H4	1.0832	2.0000	2.3668

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.212		O2	C1	H4	126.320
Cl3	C1	H4	110.468

All results from a given calculation for COHCl (Formyl chloride)

using model chemistry: HF/aug-cc-pVTZ

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	0.034
2	O	-0.436
3	Cl	-0.109
4	H	0.510

	x	y	z	Total
	-1.995	0.683	0.000	2.108
CHELPG
AIM
ESP

	x	y	z
x	4.448	0.752	0.000
y	0.752	5.278	0.000
z	0.000	0.000	3.242

<r²>	0.000
(<r²>)^1/2	0.000