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	hartrees
Energy at 0K	-574.129766
Energy at 298.15K	-574.130884
HF Energy	-574.129766
Nuclear repulsion energy	87.626523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3065	2958	22.24
2	A'	1877	1811	339.62
3	A'	1329	1282	34.24
4	A'	722	696	203.65
5	A'	446	431	12.45
6	A"	951	917	1.36

Atom	x (Å)	y (Å)
C1	0.000	0.808
O2	1.119	1.179
Cl3	-0.473	-0.924
H4	-0.907	1.425

	C1	O2	Cl3	H4
C1		1.1789	1.7955	1.0970
O2	1.1789		2.6377	2.0411
Cl3	1.7955	2.6377		2.3887
H4	1.0970	2.0411	2.3887

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.615		O2	C1	H4	127.448
Cl3	C1	H4	108.937

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

using model chemistry: B3LYP/6-31G(2df,p)

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	0.123
2	O	-0.144
3	Cl	-0.145
4	H	0.167

	x	y	z	Total
	-1.547	0.869	0.000	1.775
CHELPG
AIM
ESP

	x	y	z
x	3.797	0.893	0.000
y	0.893	5.201	0.000
z	0.000	0.000	2.393

<r²>	0.000
(<r²>)^1/2	0.000