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	hartrees
Energy at 0K	-572.837541
Energy at 298.15K	-572.838769
HF Energy	-572.837541
Nuclear repulsion energy	89.195920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	2957	29.21
2	A'	2034	1848	493.69
3	A'	1468	1334	68.18
4	A'	805	731	260.42
5	A'	505	459	9.41
6	A"	1068	971	0.08

Atom	x (Å)	y (Å)
C1	0.000	0.797
O2	1.102	1.149
Cl3	-0.467	-0.906
H4	-0.882	1.428

	C1	O2	Cl3	H4
C1		1.1569	1.7658	1.0846
O2	1.1569		2.5852	2.0037
Cl3	1.7658	2.5852		2.3709
H4	1.0846	2.0037	2.3709

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.019		O2	C1	H4	126.712
Cl3	C1	H4	110.269

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

using model chemistry: HF/6-311G**

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	0.289
2	O	-0.302
3	Cl	-0.128
4	H	0.142

	x	y	z	Total
	-1.984	0.984	0.000	2.215
CHELPG
AIM
ESP

	x	y	z
x	3.201	0.939	0.000
y	0.939	4.519	0.000
z	0.000	0.000	1.666

<r²>	0.000
(<r²>)^1/2	0.000